Yes. After verification, you can browse and download datasets at no cost. Some premium assets may require author approval.
Files are stored on encrypted storage. Access is restricted to verified users and all downloads are logged.
Yes, message the author after sign-up to request supplementary files or replication code.
Join 50,000+ researchers worldwide. Get instant access to peer-reviewed datasets, advanced analytics, and global collaboration tools.
✓ Immediate verification • ✓ Free institutional access • ✓ Global collaboration0 Datasets
0 Files
Get instant academic access to this publication’s datasets.
Join our academic network to download verified datasets and collaborate with researchers worldwide.
Get Free AccessSelf-consistent quasiparticle GW (sc-QPGW) calculations are used to calculate the electronic properties of $\ensuremath{\alpha}$-Si${}_{3}$N${}_{4}$ and $\ensuremath{\beta}$-Si${}_{3}$N${}_{4}$, as well as $\ensuremath{\alpha}$-SiO${}_{2}$ (quartz). The optical properties are evaluated by solving the Bethe-Salpeter equation in the Tamm-Dancoff approximation. For quartz, the predicted dielectric function is in good agreement with experimental data, with the onset of absorption located about 1.2 eV below the direct quasiparticle gap. For Si${}_{3}$N${}_{4}$, the theoretical dielectric function is fairly structureless and the onset of absorption corresponds to an exciton with a binding energy of 0.6 eV. The calculated sc-QPGW data are compared to more approximate calculations using G${}_{0}$W${}_{0}$, GW${}_{0}$, and a local multiplicative potential $V(r)$ designed to predict accurate one-electron band gaps. Although these calculations yield similar one-electron energies as the sc-QPGW approach, the bands are too narrow, leading to a ``compressed'' optical spectrum with too small excitation energies at higher energies. Finally, we report the absolute shifts of the conduction- and valence-band edges in silicon nitride and silicon to facilitate the prediction of band alignments at silicon/silicon-nitride interfaces.
Kresse Georg, Martijn Marsman, L. E. Hintzsche, Espen Flage−Larsen (2012). Optical and electronic properties of Si<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>4</mml:mn></mml:msub></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>-SiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><…. Physical Review B, 85(4), DOI: 10.1103/physrevb.85.045205.
Datasets shared by verified academics with rich metadata and previews.
Authors choose access levels; downloads are logged for transparency.
Students and faculty get instant access after verification.
Type
Article
Year
2012
Authors
4
Datasets
0
Total Files
0
Language
English
Journal
Physical Review B
DOI
10.1103/physrevb.85.045205
Access datasets from 50,000+ researchers worldwide with institutional verification.
Get Free Access