figure_caption stringlengths 11 1.69k | cleaned_md_content stringlengths 3.26k 133k | image imagewidth (px) 141 2.41k |
|---|---|---|
Figure 10: Nematic order parameters of the long and short axes of aggregates with respect to the flow, gradient and vorticity axes for increasing P´eclet number. Error bars encode the standard deviation. | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure 12: Electrical anisotropy ratio induced by an external alignment field with amplitude *A* for different filler densities. Points mark the mean ratio averaged over 100 networks and error bars show the corresponding standard variation. The nematic order parameter *S^z* is a monotonic function of *A* (unaltered acr... | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure E.1: Illustration of the Kirchhoff network generated from an aggregate system. Conductivity is measured between artificial electrodes (rectangular nodes on top and below the system). Figure taken from [\[87\]](#page-37-9). | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure 2: PeakForce QNM revealed the morphology of near-surface CB. Suitable probe and measuring parameters ensured clean and reproducible data: a) Examples of force‐distance curves (adapted from screenshots of real‐time display in NanoScope), b) frequency distributions of deformation signal (exported from Gwyddion 2.6... | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure D.3: Example of scaled maps of the PeakForce QNM signals 'deformation', 'modulus' (logarithmic scaling), 'dissipation', and 'adhesion' (11 vol% CB, unstretched, 5x5 µm² scan size) | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure 5: The stress response to uniaxial strain (strain rate 10-2 s -1, 22°C ± 1 K, 30 ± 15 % r.h.) of CB-silicone films is isotropic within the limits of accuracy. Shown are the stress-strain curves (nominal stress, σ, vs. nominal strain, ϵ) of: a) all load cycles for stretch parallel to the coating direction, b) all... | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure A.1: Doctor blade coating: a) overall setup b) coating geometry | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure 9: 1D SAXS patterns of unloaded silicone films (a,b,c) and silicone films loaded with 9 vol% CB (d,e,f) (hgap = 350 µm, vblade = 20 mm/s) in their unstretched state (a,d), stretched at 40 % uniaxial strain parallel to the coating direction (b,e) and perpendicular to the coating direction (c,f). The patterns are ... | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure C.2: Unshifted stress‐strain curves of uniaxial tensile tests (22°C ± 1 K, 30 ± 15 % r.h.), cycle 4 (load to ϵmax = 40 %), for 11 vol% CB and stretch parallel or perpendicular to the coating direction, respectively. The expressions 'left', 'right', 'start' and 'end' refer to the positions on the film from which ... | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure 6: Electrical resistance of CB-silicone films (7/9/11 vol% CB) increased more strongly for strain perpendicular to the coating direction than parallel to it. a) Example of resistance data (9 vol% CB, change along stretch axis relative to initial value before stretching, R₀) during load-unload cycles to ϵₘₐₓ = 0/... | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure 8: Assessment of CB particle diameter, circularity and angle of the major feret axis to the horizontal axis of the PeakForce QNM scans by histograms obtained from segmentation analysis of 10x10 µm² dissipation maps. Particles are anisometric (circularity < 1), and their size roughly follows a log-normal distribu... | # **Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure**
# **Abstract**
Carbon black (CB)-elastomers can serve as low-cost, highly deformable sensor materials, but hardly any work exists on their structure-property relationships. We report on f... | |
Figure 11. Enhanced formation of •OH radicals during photoreforming by the introduction of high-pressure TiO<sup>2</sup> phase. Fluorescence signal intensity at 450 nm corresponding to •OH radical concentration produced during photoreforming after 20 minutes of irradiation using initial anatase powder and catalysts pro... | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 10. Degradation of PET plastic to small molecule hydrocarbons by photoreforming. Quantitative <sup>1</sup>H NMR analysis for the concentration of formic acid, terephthalate, glycolic acid, and acetic acid produced by the degradation of PET after 4 h UV irradiation using initial anatase powder and catalysts proce... | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 6. Large light absorbance and narrowing of optical bandgap by introducing highpressure TiO<sup>2</sup> phase. (a) Light absorption coefficient versus light wavelength achieved using UV-vis absorbance spectroscopy, (b) Tauc plot for bandgap calculation (: light absorption, h: Planck's constant, : light frequency)... | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 7. Suppression of radiative electron-hole recombination by high-pressure TiO2 phase formation. PL spectra for (a) initial powder and HPT-treated and annealed samples, and (b) HPT-treated and annealed samples in enlarged view. | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 4. Formation of oxygen vacancies by HPT processing and their disappearance by annealing. XPS spectra with (a, c) Ti 2p (b, d) O 1s for initial powder and HPT-treated and annealed samples, where (c) and (d) are magnified views of (a) and (b) respectively. | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 12. Stability of examined catalysts for photoreforming and plastic degradation. Raman spectra of (a) initial powder, (b) HPT-treated catalyst and (c) annealed catalyst before and after photoreforming test for 4 h irradiation. | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 3. Existence of nanograined high-pressure TiO2 phase after HPT processing and annealing. TEM (a, d, g) BF images and corresponding SAED patterns, (b, e, h) HR images, and (c, f, i) lattice images and corresponding FFT diffractogram for (a-c) initial powder, (d-f) HPT-treated sample and (g-i) annealed sample. A: ... | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 8. Enhancement of H<sup>2</sup> production from photoreforming of PET plastic by the introduction of high-pressure TiO<sup>2</sup> phase. H<sup>2</sup> production versus irradiation time during catalytic process with PET plastic as sacrificial agent for initial anatase powder and catalysts treated by HPT and ann... | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 9. Photoreforming of PET plastic to formic acid, terephthalate, glycolic acid and acetic acid by TiO<sup>2</sup> catalysts. <sup>1</sup>H NMR spectra of degraded PET after 4 h irradiation for (a) blank test, (b) initial powder, (c) HPT-treated catalyst and (d) annealed catalyst in 10 M NaOD in D2O. (e) Chemical ... | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 1. (a) Illustration of simultaneous plastic degradation and H<sup>2</sup> production by photoreforming, (b) phase diagram of TiO<sup>2</sup> under pressure and temperature, and (c) illustration of HPT method. | # **Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production**
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this p... | |
Figure 3. (Color online) Layer-by-layer PDOS (solid black curves with gray shading) for the 8-unit periodic DW containing HH and TT 180◦ DWs in PbTiO3. The bottom curve corresponds to the first layer, and the top one corresponds to the 16th layer. The Fermi level is located at zero energy (vertical black line). The pol... | # **Intrinsic conductance of ferroelectric domain walls**
### **Abstract:**
Ferroelectric domain walls hold great promise for innovative applications in ferroelectric devices. However, the underlying mechanisms behind the observed giant conductance of charged domain walls remain poorly understood. Using a first-pri... | |
Figure 7. (Color online) Calculated free carrier densities (a) and conductivities (b) for each layer in the 8-unit periodic DW containing HH and TT 180◦ DWs in PbTiO3. In (a), the blue squares represent the hole concentration (p) and the red dots represent the free electron concentration (n) in each layer. The x-axis i... | # **Intrinsic conductance of ferroelectric domain walls**
### **Abstract:**
Ferroelectric domain walls hold great promise for innovative applications in ferroelectric devices. However, the underlying mechanisms behind the observed giant conductance of charged domain walls remain poorly understood. Using a first-pri... | |
Figure 4. The DOS for head-to-head domain walls in PbTiO3, along with the PDOS for each type of atom within the domain wall. | # **Intrinsic conductance of ferroelectric domain walls**
### **Abstract:**
Ferroelectric domain walls hold great promise for innovative applications in ferroelectric devices. However, the underlying mechanisms behind the observed giant conductance of charged domain walls remain poorly understood. Using a first-pri... | |
Figure 2. (Color online) (a) Relaxed 8-unit periodic DW structure containing HH and TT 180◦ DWs in PbTiO3; (b) Local layer-by-layer normalized effective polarization profiles for the periodic DW structure in (a). Black squares represent normalized polarization of each layer, computed from Born effective charges. Open c... | # **Intrinsic conductance of ferroelectric domain walls**
### **Abstract:**
Ferroelectric domain walls hold great promise for innovative applications in ferroelectric devices. However, the underlying mechanisms behind the observed giant conductance of charged domain walls remain poorly understood. Using a first-pri... | |
Figure 6. Energy band diagram of the periodic DW containing head-to-head and tail-to-tail 180◦ DWs in PbTiO3. Ec denotes the bottom of the conduction band, and Ev denotes the top of the valence band. P represents the polarization, with the arrow indicating its direction. Black dots represent accumulated free electrons,... | # **Intrinsic conductance of ferroelectric domain walls**
### **Abstract:**
Ferroelectric domain walls hold great promise for innovative applications in ferroelectric devices. However, the underlying mechanisms behind the observed giant conductance of charged domain walls remain poorly understood. Using a first-pri... | |
Fig. 1 A schematic plot of the workflow to use GNN to calculate the disorder properties of compound materials. The input crystal structure is converted to a graph, whose nodes and edges represent the atomic species and the interatomic distances, respectively. Through several attention-based convolution layers, where th... | # Towards Accurate Prediction of Configurational Disorder Properties in Materials using Graph Neural Networks
#### Abstract
The prediction of configurational disorder properties, such as configurational entropy and order-disorder phase transition temperature, of compound materials relies on efficient and accurate ... | |
Fig. 3 The performance on the dataset with random atomic displacements, using MSE as the target loss function. (a) The comparison between the configurational energies (per atom) obtained from DFT (EDFT) and the optimal GNN model (EGNN). (b) The calculated configurational entropy (black curve) and the heat capacity (red... | # Towards Accurate Prediction of Configurational Disorder Properties in Materials using Graph Neural Networks
#### Abstract
The prediction of configurational disorder properties, such as configurational entropy and order-disorder phase transition temperature, of compound materials relies on efficient and accurate ... | |
Fig. 2 The performance of the Transformer-based GNN model on the pristine AuxCu1−<sup>x</sup> structure dataset. (a) The histogram of the number of configurations for each Au concentration. (b) The comparison between the configurational energies (per atom) predicted from DFT (EDFT) and the optimal GNN model (EGNN). The... | # Towards Accurate Prediction of Configurational Disorder Properties in Materials using Graph Neural Networks
#### Abstract
The prediction of configurational disorder properties, such as configurational entropy and order-disorder phase transition temperature, of compound materials relies on efficient and accurate ... | |
FIG. 12: Equation of state for bcc Fe: calculated fully ab-initio (dotted blue lines) and parameterized by a third-order Birch-Murnaghan function, and fitted to experimental data extracted from Ref. [86] (black dots), parameterized by a Vinet function (full orange line). Red dots show another experimental set extracted... | # Spin-lattice couplings in 3d ferromagnets: analysis from first-principles
I. P. Miranda,1, 2 M. Pankratova,3, 1, 4 M. Weißenhofer,1, 5 A. B. Klautau,<sup>6</sup> D. Thonig,7, 1 M. Pereiro,<sup>1</sup> E. Sj¨oqvist,<sup>1</sup> A. Delin,8, 9, 10 M. I. Katsnelson,11, 4 O. Eriksson,1, 4 and A. Bergman<sup>1</sup>
... | |
FIG. 10: (a,c) Computed ferromagnetic phonon dispersions of bcc Fe and fcc Co, and comparison with room-temperature experimental data from Refs. [113] (bcc Fe) and Ref. [117] (fcc Co0.92Fe0.08); (b,d) Correspondent root-mean square (RMS) thermal displacements calculated within the HA (blue dots), together with the esti... | # Spin-lattice couplings in 3d ferromagnets: analysis from first-principles
I. P. Miranda,1, 2 M. Pankratova,3, 1, 4 M. Weißenhofer,1, 5 A. B. Klautau,<sup>6</sup> D. Thonig,7, 1 M. Pereiro,<sup>1</sup> E. Sj¨oqvist,<sup>1</sup> A. Delin,8, 9, 10 M. I. Katsnelson,11, 4 O. Eriksson,1, 4 and A. Bergman<sup>1</sup>
... | |
FIG. 9: Change in the spin-lattice coupling parameters of bcc Fe when an isotropic contraction (isodeformation in all three directions) is applied, as a function of the normalized interatomic distance r₍ij₎/a : (a) diagonal SLC parameters for k = i; (b) DMI-like couplings (also for k = i); (c) Symmetric anisotropic Hei... | # Spin-lattice couplings in 3d ferromagnets: analysis from first-principles
I. P. Miranda,1, 2 M. Pankratova,3, 1, 4 M. Weißenhofer,1, 5 A. B. Klautau,<sup>6</sup> D. Thonig,7, 1 M. Pereiro,<sup>1</sup> E. Sj¨oqvist,<sup>1</sup> A. Delin,8, 9, 10 M. I. Katsnelson,11, 4 O. Eriksson,1, 4 and A. Bergman<sup>1</sup>
... | |
FIG. 1: Variation of the Heisenberg exchange Jij for Fe, Co and Ni as a function of the rij distance (in units of the lattice parameter) and displacement of the i-th atom. Black open diamonds represent the values for atoms in the equilibrium positions (Jij (0)); (b) Variation of Jij for the case of nearest‐neighbors in... | # Spin-lattice couplings in 3d ferromagnets: analysis from first-principles
I. P. Miranda,1, 2 M. Pankratova,3, 1, 4 M. Weißenhofer,1, 5 A. B. Klautau,<sup>6</sup> D. Thonig,7, 1 M. Pereiro,<sup>1</sup> E. Sj¨oqvist,<sup>1</sup> A. Delin,8, 9, 10 M. I. Katsnelson,11, 4 O. Eriksson,1, 4 and A. Bergman<sup>1</sup>
... | |
FIG. 6: Schematic representation of coupled degrees of freedom in an ideal bcc lattice: atomic displacement in the µ = ˆz direction and single-spin rotation by a polar angle of ¯θ in the ˆx-ˆz plane, mimicking the noncollinearity induced by a finite spin temperature. Analogous calculation procedure is adopted for displ... | # Spin-lattice couplings in 3d ferromagnets: analysis from first-principles
I. P. Miranda,1, 2 M. Pankratova,3, 1, 4 M. Weißenhofer,1, 5 A. B. Klautau,<sup>6</sup> D. Thonig,7, 1 M. Pereiro,<sup>1</sup> E. Sj¨oqvist,<sup>1</sup> A. Delin,8, 9, 10 M. I. Katsnelson,11, 4 O. Eriksson,1, 4 and A. Bergman<sup>1</sup>
... | |
FIG. 7: Heisenberg-like (left columns) and DMI-like (central columns) spin-lattice parameters and the imaginary part of Dxµ q (right columns) as a function of the polar angle ¯θ of the reference spin, which can be related to the spin temperature under a simplified picture: (a) fcc Co (topmost row); (b) bcc Fe (central ... | # Spin-lattice couplings in 3d ferromagnets: analysis from first-principles
I. P. Miranda,1, 2 M. Pankratova,3, 1, 4 M. Weißenhofer,1, 5 A. B. Klautau,<sup>6</sup> D. Thonig,7, 1 M. Pereiro,<sup>1</sup> E. Sj¨oqvist,<sup>1</sup> A. Delin,8, 9, 10 M. I. Katsnelson,11, 4 O. Eriksson,1, 4 and A. Bergman<sup>1</sup>
... | |
FIG. 2: (a) Normalized change of nearest‐neighbor ij pairwise interaction for Fe, Co and Ni as a function of the displacement |uⁱ| (in units of the lattice parameter). Points represent the values calculated with the simplified ECA scheme (sECA), while the dashed lines denote the calculated values using a fully self‐con... | # Spin-lattice couplings in 3d ferromagnets: analysis from first-principles
I. P. Miranda,1, 2 M. Pankratova,3, 1, 4 M. Weißenhofer,1, 5 A. B. Klautau,<sup>6</sup> D. Thonig,7, 1 M. Pereiro,<sup>1</sup> E. Sj¨oqvist,<sup>1</sup> A. Delin,8, 9, 10 M. I. Katsnelson,11, 4 O. Eriksson,1, 4 and A. Bergman<sup>1</sup>
... | |
Figure S2c TRPL spectrum of the reference bulk sample with peaks related only to hBN. ZPL – zero phonon line, 4.10 eV. 1PR – first phonon replica 3.90 eV. 2PR – second phonon replica 3.70 eV. For these three lines, the lifetimes are 0.95(5) ns. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure 2: The X-ray diffraction 2θ/ω scans for a) MOVPE-grown rBN and b) free-standing, comercially available hBN bulk crystal measured as a reference. Blue and red dashed lines refer to the angular positions of hBN- and rBN-related XRD peaks, respectively. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S6: 2θ/ω scans for samples S1, S2, and S3 in a broad angular range (a), and narrow range related to the diffraction on atomic interplane (b). Dashed line indicated at 26.75° angular position refers to the atomic layers distance of 3.33 Å expected for sp²-BN. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure 1: Different stacking orders of sp<sup>2</sup> -BN layers resulting in different polytypes: a) hBN, b) rBN and c) bBN and arrangement of atoms surrounding carbon dimers C<sup>2</sup> (CBCN) in d) hBN, e) rBN, and f) bBN. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure 4: Comparison of calculated emission spectra (dark lines) with experimental PL spectra (light lines) for a) rBN and b) hBN. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S5: Scanning electron microscopy pictures of samples (a) S1, (b) S2, and (c) S3. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S1: Scanning electron microscopy image of reference MOVPE-grown rBN. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S9: High-resolution transmission electron microscopy pictures of FIB cross-section of the samples (a) S1, (b) S2, (c) S3. White frames show the areas presented in the main text. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S7: Fourier-transform infrared spectra for samples S1, S2, and S3. Inset shows zoom on the spectral range associated with E1u vibrational mode in sp² -BN. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S3: Photoluminescence spectra calculated for the CBCⁿ defect in hBN – AA' (b and d) and rBN - ABC (c and e). The spectra (b) and (c) were obtained with the standard ∆SCF, while in the calculations of (d) and (e), the MC-∆SCF method was employed. Our experimental results are provided for a sake of reference. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure 5: a) - c) Exemplary transmission electron microscopy (TEM) pictures for the samples S1, S2, S3. The overlaid colors depict atomic layers which are aligned similarly. The colored circles are guide to the eyes. d) - f) Hyperspectral line-scans of cathodoluminescence collected along a 5 µm-long line on the sample.... | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S3. Photoluminiscence spectra calculated for the CBC<sup>N</sup> defect in hBN – AA' (b and d) and rBN - ABC (c and e). The spectra (b) and (c) were obtained with the standard ∆SCF, while in the calculations of (d) and (e), the MC-∆SCF method was employed. Our experimental results are provided for a sake of refe... | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure 3: Photoluminescence spectra characteristic for a) three MOVPE-grown samples containing rBN and b) reference bulk hBN sample. Zero-phonon lines (ZPL) and selected phonon replicas characteristic for rBN and hBN are marked. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S2a Time resolved PL (TRPL) spectrum of a sample with peaks related only to rBN.
ZPL – zero phonon line, 4.14 eV.
1PR – first phonon replica 3.95 eV.
2PR – second phonon replica 3.75 eV.
TRPL is presented as contour map. The isolines are equally spaced in logarithmic scale (e-times), so the distance between ... | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S8: Exemplary cathodoluminescence spectrum for sample S<sup>1</sup> (gray line) with fitted curve (cyan line). Red and blue lines represent rBN and hBN spectrum components, respectively. Green, purple and yellow lines correspond to background signal originating from twisting of atomic layers. | # Revealing Polytypism in 2D Boron Nitride with UV Photoluminescence
Jakub Iwański<sup>1</sup> , Krzysztof P. Korona<sup>1</sup> , Mateusz Tokarczyk<sup>1</sup> , Grzegorz Kowalski<sup>1</sup> , Aleksandra K. Dąbrowska<sup>1</sup> , Piotr Tatarczak<sup>1</sup> , Izabela Rogala<sup>1</sup> , Marta Bilska1,2 , Maciej Wó... | |
Figure S10: Finite element modelling of temperature distribution over the MEMS heating chip. (a): Temperature distribution at a set temperature of 550ºC. (b) line profiles (along dashed arrow of bottom right subfigure) display the simulated temperatures at the centre of the heating spiral for set input voltages stated ... | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
*Figure 6: approximated absolute thickness vs (a) Ep and (b) FWHM at set temperatures ranging from 20 ºC to 700 ºC as shown in the legend.* | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure 1: Experimental setup of the TEM heating experiments and the thickness map of W-lamella. SEM SE images show (a) MEMS heating spiral and (b) W-lamella placed over the central window of the magnified area in (a). (c): The thickness map is based on log-ratio (t/λ) method, corresponded to the assigned area in (b). (... | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure 3: Maps of measured W Ep (a) and FWHM (b) over the W-lamella with varying thickness at set temperature of 20 °C, 500 °C and 700 °C. The mapping area is the same as the mapping area in figure 1c. | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure S1: CBED pattern taken along [102] zone-axis of W with GIF collection aperture retracted in order to determine . | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure S7: Maps of the FWHM of plasmon peak over the W-lamella with varying thickness at set temperature from 20 °C to 1000 °C. The set temperature in unit of °C is annotated above each map. The colour bar shows the FWHM of W plasmon from 10 eV to 40 eV. | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure S7: Maps of the FWHM of plasmon peak over the W-lamella with varying thickness at set temperature from 20°C to 1000ºC. The set temperature in unit of ºC is annotated above each map. The colour bar shows the FWHM of W plasmon from 10 eV to 40 eV. | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure S6: Maps of Ep over the W-lamella with varying thickness at set temperature from 20°C to 1000ºC. The set temperature in unit of ºC is annotated above each map. The colour bar shows the plasmon energy from 24.6 eV to 25.8 eV. | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure 5: (a): Measured temperature vs set temperature, according to the free‐electron model using the literature bulk W<sup>0</sup> value, for the different thickness regions highlighted in figure 1d. (b): Linear regression of ∆ on ∆ and extracted ∝<sup>0</sup> values for the different thickness regions considered. Fo... | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure 4: (a) Average Ep and (b) FWHM of the plasmon peak in function of set temperatures from 20 °C to 700 ºC for different thickness ranges from 30 to 70 nm. The error bars correspond to standard error. Legend shared for (a) and (b) shows the corresponding thickness ranges, which are extracted from the thickness esti... | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
*Figure S11: Line stress profiles at set temperature of 20 ºC along the double-arrow line in figure 2b. Corresponded to thickness profile in figure 2c, the higher stress present at the thinner area.* | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure S2: Bulk plasmon energy (Ep) maps using different α and β at RT and 1100 ºC (HT). The left 6 figures using α=1.9 mrad, and from top to bottom row the increase from 1.9, 4.6, 17.47 mrad. The right 6 figures using α=18.06 mrad, and from top to bottom row the β increase from 9.03, 18.06, 69.84 mrad. The colorbar in... | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure 2: FEM simulations showing temperature distribution in the W lamella with varying sample thickness. Simulated temperature distribution at set temperature of 700°C of (a) the entire geometry including free-standing membrane with embedded heating spiral and W lamella (b) the attached W-lamella over the magnified a... | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
Figure S8: ADF images at 20°C, 650°C, 700°C, 750°C, 800°C, 900°C. At each image, the length of the arrow has measured from the same feature at left side, and the arrow and length are indicated in the images. | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
*Figure 7: The empirical value ξ from Ep and FWHM with thickness. Below the approximated 30 nm, ξ remains deviating with thickness dependence. Above this 30 nm, the ξ shows only temperature dependence as aimed for.* | # **Improving the Accuracy of Temperature Measurement on TEM sample using Plasmon Energy Expansion Thermometry (PEET): Addressing Sample Thickness Effects**
#### *Abstract*
Advances in analytical scanning transmission electron microscopy (STEM) with microelectronic mechanical systems (MEMS) based microheaters h... | |
FIG. 6. SIMS depth profiles. Arsenic depth profiles of the four Si:As δ-layers of varying depth, along with the oxide profile of the buried oxide layer (see Tab. [I)](#page-8-1). | # Element-specific, non-destructive profiling of layered heterostructures
Fabrication of semiconductor heterostructures is now so precise that metrology has become a key challenge for progress in science and applications. It is now relatively straightforward to characterize classic III-V and group IV heter... | |
FIG. 5. Arsenic L3-edge fits. Black dots correspond to the reflectometry data shown in Fig. [3a.](#page-4-2) The lines are fits to the data with colours corresponding to a Si:As layer thickness δ as indicated in the legend. | # Element-specific, non-destructive profiling of layered heterostructures
Fabrication of semiconductor heterostructures is now so precise that metrology has become a key challenge for progress in science and applications. It is now relatively straightforward to characterize classic III-V and group IV heter... | |
FIG. 3. Resonant reflectometry across the arsenic L2,3-edges. (a) Sharp reflectometry edge at the arsenic L3-absorption edge resonance of 1324 eV in sample #1, at an incidence angle of θ = 10◦ , normalised by the incident photon flux I0. The blue line is a fit assuming δ = 1.5 nm (see Methods and Fig. [5](#page-8-0)). ... | # Element-specific, non-destructive profiling of layered heterostructures
Fabrication of semiconductor heterostructures is now so precise that metrology has become a key challenge for progress in science and applications. It is now relatively straightforward to characterize classic III-V and group IV heter... | |
FIG. 1. X-ray reflectometry. Schematic of the sample's layer structure and the measurement geometry. The surface consists of oxide (SiO2) and silicon with a combined thickness of d = dSiO<sup>2</sup> + dSi. Within the silicon lattice there is an arsenic-doped layer of thickness δ. X-rays shine on the sample with an inc... | # Element-specific, non-destructive profiling of layered heterostructures
Fabrication of semiconductor heterostructures is now so precise that metrology has become a key challenge for progress in science and applications. It is now relatively straightforward to characterize classic III-V and group IV heter... | |
FIG. 2. Dopant contribution to reflectometry across the arsenic L3-edge. (a) X-ray reflectometry of sample #1 with photon energies below (red, 1300 eV) and above the arsenic L3-absorption edge (black, 1335 eV), obtained by rotating the sample and the detector to measure the specular reflection. The horizontal axis show... | # Element-specific, non-destructive profiling of layered heterostructures
Fabrication of semiconductor heterostructures is now so precise that metrology has become a key challenge for progress in science and applications. It is now relatively straightforward to characterize classic III-V and group IV heter... | |
FIG. 4. Comparison of dopant layer thicknesses and depths. The thickness δ (a) and depth d (b) of the Si:As layer below the surface, obtained by RCXR (black) and a single energy above the L3-edge (E⁺, red), as well as SIMS are plotted on the vertical and horizontal axes, respectively. The inset in panel (b) shows the d... | # Element-specific, non-destructive profiling of layered heterostructures
Fabrication of semiconductor heterostructures is now so precise that metrology has become a key challenge for progress in science and applications. It is now relatively straightforward to characterize classic III-V and group IV heter... | |
**A** DFT calculation of the band structure of LaGa2. Color scale represents the orbital projections to La-5d (red) and Ga-4p (blue). Band 1, 2, and 3 are related to the FS1, 2, 3, respectively. Inset shows the first BZ. **B**-**C** Fermi surfaces of hole bands FS1, FS2, and FS3. **D**-**E** Color map of the curvature-... | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
FIG. S8. Fitting results with a constraint that n<sup>e</sup> and n<sup>h</sup> are close order of magnitudes. **A**-**F** Corresponding figures to Figs. 3B-C, E-F, G-H, respectively. A constraint is imposed so that the orders of n<sup>e</sup> and n<sup>h</sup> are closer with each other. | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
**A** Crystal structure and schematic magnetic structure of the Er triangular‐lattice for each magnetic phase for *H*||*c*. AFM: commensurate single-*q* antiferromagnetic, kagome: commensurate triple-*q* state, Fi‐FM: field-induced ferromagnetic phases, respectively. Hatched area highlights the magnetic unit cell. **B*... | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
FIG. S2. Demagnetization correction of the field-dependences of M, xx, and yx.
**A** Evolution of the magnetic induction B (= <sup>0</sup>H<sub>ext</sub> - N<sub>d</sub>M + M), the internal magnetic field <sup>0</sup>H<sub>int</sub> (= <sup>0</sup>H<sub>ext</sub> - N<sub>d</sub>M), and the external field <sup>0</sup>H<... | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
FIG. S5. Spin-disorder scattering in AFM state. | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
FIG. S1. Variation of the MM Hall effect | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
**FIG. S3. Multistep metamagnetism and phase diagrams of ErGa2.** | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
FIG. S3. Multistep metamagnetism and phase diagrams of ErGa2. | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
FIG. S6. Interpolation of field-dependent <sup>e</sup> into the IP state regions. **A**-**C** Corresponding figures to Figs. 3D-F by interpolating the assumption, *xx*(*B*)/*xx*<sup>0</sup> ∝ 1/<sup>e</sup>(*B*), to the IP state regions. | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
**A** Crystal structure and schematic magnetic structure of the Er triangular-lattice for each magnetic phase for *H*||*c*. AFM: commensurate single-*q* antiferromagnetic, kagome: commensurate triple-*q* state, Fi-FM: field-induced ferromagnetic phases, respectively. Hatched area highlights the magnetic unit cell. **B*... | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
**A** (**D**) Field dependence of the simulated <sup>e</sup> (for Eq. (5)) and *M*, **B** (**E**) conductivity (*xx*), and Hall conductivity (*xy*) at *T* = 10 (1.8) K. In **B**–**C** (**E**–**F**), black open circles are observation (obs), and red (Tot), cyan (*xx*<sup>e</sup> and *xy*<sup>e</sup>), and yellow (*xx*<s... | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
FIG. S9. Single crystal x-ray diffraction pattern of ErGa2. (Left) Fundamental Bragg peaks in the H K 0 plane, and (Right) those in the H 0 L plane. | # **Metamagnetic multiband Hall effect in Ising antiferromagnet ErGa<sup>2</sup>**
### **Abstract**
Frustrated rare-earth-based intermetallics provide a promising platform for emergent magnetotransport properties through exchange coupling between conduction electrons and localized rare-earth magnetic moments. M... | |
FIG. 6. The normalized spontaneous emission spectra of GaAsSb for 20% Sb with different Sb-uniformity levels at 300K. | # Empirical tight-binding method for large-supercell simulations of disordered semiconductor alloys
We analyze and present applications of a recently proposed empirical tight-binding scheme for investigating the effects of alloy disorder on various electronic and optical properties of semiconductor alloys, such as... | |
FIG. 4. Similar to Fig. [3](#page-5-1) but versus As-uniformity in Sb-rich regime for %Sb from 0.5 to 0.9 (equivalen to %As from 0.5 down to 0.1). | # Empirical tight-binding method for large-supercell simulations of disordered semiconductor alloys
We analyze and present applications of a recently proposed empirical tight-binding scheme for investigating the effects of alloy disorder on various electronic and optical properties of semiconductor alloys, such as... | |
FIG. 5. The square of ground-state transition momentum matrix element (MME) in atomic units at Γ point for GaAsSb alloy with different uniformity levels of anion distribution. Black dashed lines are for eye-guiding purpose. | # Empirical tight-binding method for large-supercell simulations of disordered semiconductor alloys
We analyze and present applications of a recently proposed empirical tight-binding scheme for investigating the effects of alloy disorder on various electronic and optical properties of semiconductor alloys, such as... | |
FIG. 3. The percentage of top contributing atoms to 80% density of the VBE (left) and CBE (right) wavefunctions versus the Sb-uniformity level in As-rich regime for %Sb from 0.1 to 0.5. | # Empirical tight-binding method for large-supercell simulations of disordered semiconductor alloys
We analyze and present applications of a recently proposed empirical tight-binding scheme for investigating the effects of alloy disorder on various electronic and optical properties of semiconductor alloys, such as... | |
<span id="page-4-0"></span>FIG. 1. Variations in band gaps versus the concentration for totally random GaAsSb, InAsSb and InGaSb alloys calculated by Tan scheme (300K) and Jancu scheme (0K). Experimental data (300K) from various sources are shown for comparison purposes: Woolley1959 [\[60\]](#page-10-16), Woolley1961 [... | # Empirical tight-binding method for large-supercell simulations of disordered semiconductor alloys
We analyze and present applications of a recently proposed empirical tight-binding scheme for investigating the effects of alloy disorder on various electronic and optical properties of semiconductor alloys, such as... | |
USED as Figure 5 FIG. 5. Fluorine-passivated 2H-SiC NW with a V<sup>−</sup><sup>1</sup> Si defect. (a) Total DOS (TDOS) in gray and DOS projected onto the fluorine-atoms (in cyan) and the four carbon atoms that are the nearest neighbors (CNN) surrounding the defect. The filled optically-active state in the minority spi... | # Optimum surface-passivation schemes for near-surface spin defects in silicon carbide
Spin-active defects in silicon carbide (SiC) are promising quantum light sources for realizing scalable quantum technologies. In different applications, these photoluminescent defects are often placed in a nanostructured host or ... | |
FIG. 3. Electronic structure properties of defect-free 2H-SiC NWs. (a) Density of states (DOS) for unpassivated/bare NW, along with the DOS of perfect 2H-SiC bulk, showing surface states (highlighted) at the band edges of the NW. (b) Total DOS (TDOS) and DOS projected onto the three-fold and four-fold coordinated carbo... | # Optimum surface-passivation schemes for near-surface spin defects in silicon carbide
Spin-active defects in silicon carbide (SiC) are promising quantum light sources for realizing scalable quantum technologies. In different applications, these photoluminescent defects are often placed in a nanostructured host or ... | |
FIG. 2. (a) Franck-Condon picture onto which the ∆SCF results are mapped to emulate the photoexcitation process. (b) Schematic single particle level diagram (not to scale), showing the defect states introduced by V⁻¹ Si in 2H-SiC bulk, where the structure has a C₃ᵥ-point group symmetry. The spin-split defect states are... | # Optimum surface-passivation schemes for near-surface spin defects in silicon carbide
Spin-active defects in silicon carbide (SiC) are promising quantum light sources for realizing scalable quantum technologies. In different applications, these photoluminescent defects are often placed in a nanostructured host or ... | |
FIG. 4. Hydrogen and mixed hydrogen/hydroxyl group passivated 2H-SiC NW with a V<sup>−</sup><sup>1</sup> Si defect. (a) Total DOS (TDOS) in gray and the DOS contributed by the four nearest neighboring carbon atoms (CNN) surrounding the defect (in black). Also shown in green is the DOS projected onto the hydrogen-atoms.... | # Optimum surface-passivation schemes for near-surface spin defects in silicon carbide
Spin-active defects in silicon carbide (SiC) are promising quantum light sources for realizing scalable quantum technologies. In different applications, these photoluminescent defects are often placed in a nanostructured host or ... | |
Figure 16. Fractographic analysis of fractures in UFG alloy PT7M specimens after corrosion fatigue testing at the amplitude of 575 MPa (а), 905 MPa (b), and 925 MPa (c). In Fig.16: (1) fracture overall view; (2) fractographic analysis of fractures in Zone I, (3) fractographic analysis of fractures in Zone IIa; (4) frac... | # Corrosion fatigue crack initiation in ultrafine-grained near- titanium alloy PT7M prepared by Rotary Swaging
V.N. Chuvil'deev<sup>a</sup> , V.I. Kopylova,b , N.N. Berendeev<sup>a</sup> , A.A. Murashov<sup>a</sup> , A.V. Nokhrin<sup>a</sup> , M.Yu. Grayznov<sup>a</sup> , I.S. Shadrina<sup>a</sup> , N.Yu. Tabachkova<s... | |
Figure 3. EDS analysis of the grain boundaries composition in UFG alloy Ti-2.5Al-2.6Zr after RS | # Corrosion fatigue crack initiation in ultrafine-grained near- titanium alloy PT7M prepared by Rotary Swaging
V.N. Chuvil'deev<sup>a</sup> , V.I. Kopylova,b , N.N. Berendeev<sup>a</sup> , A.A. Murashov<sup>a</sup> , A.V. Nokhrin<sup>a</sup> , M.Yu. Grayznov<sup>a</sup> , I.S. Shadrina<sup>a</sup> , N.Yu. Tabachkova<s... | |
Figure 8. Macrostructure of a cross-section (a) and longitudinal section (b) in specimens of titanium alloy PT7M after RS and recrystallization annealing at 650 °С (30 min) | # Corrosion fatigue crack initiation in ultrafine-grained near- titanium alloy PT7M prepared by Rotary Swaging
V.N. Chuvil'deev<sup>a</sup> , V.I. Kopylova,b , N.N. Berendeev<sup>a</sup> , A.A. Murashov<sup>a</sup> , A.V. Nokhrin<sup>a</sup> , M.Yu. Grayznov<sup>a</sup> , I.S. Shadrina<sup>a</sup> , N.Yu. Tabachkova<s... | |
Figure 1. Drawing (а, c) and photos (b, d) of a specimen for tensile tests (a, b) and corrosion fatigue tests (c, d) | # Corrosion fatigue crack initiation in ultrafine-grained near- titanium alloy PT7M prepared by Rotary Swaging
V.N. Chuvil'deev<sup>a</sup> , V.I. Kopylova,b , N.N. Berendeev<sup>a</sup> , A.A. Murashov<sup>a</sup> , A.V. Nokhrin<sup>a</sup> , M.Yu. Grayznov<sup>a</sup> , I.S. Shadrina<sup>a</sup> , N.Yu. Tabachkova<s... | |
Figure 18. Results of XRD analysis of the subsurface fracture area in a CG alloy. Comparison by broadening of XRD peak (002) and (101) -Ti (a), and (104) -Ti (b) in CG alloy PT7M at stress ranges a = 440 MPa | # Corrosion fatigue crack initiation in ultrafine-grained near- titanium alloy PT7M prepared by Rotary Swaging
V.N. Chuvil'deev<sup>a</sup> , V.I. Kopylova,b , N.N. Berendeev<sup>a</sup> , A.A. Murashov<sup>a</sup> , A.V. Nokhrin<sup>a</sup> , M.Yu. Grayznov<sup>a</sup> , I.S. Shadrina<sup>a</sup> , N.Yu. Tabachkova<s... | |
Figure 14. Corrosion fatigue failure curves for PT7M alloy in the initial state (a), in an UFG state after RS (b), and for a fine-grained PT7M alloy after recrystallization annealing at different temperatures (c). Fig. 14a, b also shows fatigue curves corresponding to 50% probability of nofailure operation. Fig.14b sho... | # Corrosion fatigue crack initiation in ultrafine-grained near- titanium alloy PT7M prepared by Rotary Swaging
V.N. Chuvil'deev<sup>a</sup> , V.I. Kopylova,b , N.N. Berendeev<sup>a</sup> , A.A. Murashov<sup>a</sup> , A.V. Nokhrin<sup>a</sup> , M.Yu. Grayznov<sup>a</sup> , I.S. Shadrina<sup>a</sup> , N.Yu. Tabachkova<s... | |
Figure 4. Microstructure of PT7M alloy after RS and annealing. Zirconium particles in the structure of PT7M alloy after annealing at 400 <sup>о</sup>С (a, b), 600 <sup>o</sup>C (c, d) and EDS analysis of their composition | # Corrosion fatigue crack initiation in ultrafine-grained near- titanium alloy PT7M prepared by Rotary Swaging
V.N. Chuvil'deev<sup>a</sup> , V.I. Kopylova,b , N.N. Berendeev<sup>a</sup> , A.A. Murashov<sup>a</sup> , A.V. Nokhrin<sup>a</sup> , M.Yu. Grayznov<sup>a</sup> , I.S. Shadrina<sup>a</sup> , N.Yu. Tabachkova<s... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.