RDL logo
About
Aims and ScopeAdvisory Board Members
More
Who We Are?
User Guide
​
​
Sign inGet started
​
​

About
Aims and ScopeAdvisory Board Members
More
Who We Are?
User Guide

Sign inGet started
RDL logo

Verified research datasets. Instant access. Built for collaboration.

Navigation

About

Aims and Scope

Advisory Board Members

More

Who We Are?

Add Raw Data

User Guide

Legal

Privacy Policy

Terms of Service

Support

Got an issue? Email us directly.

Email: info@rawdatalibrary.netOpen Mail App
​
​

© 2025 Raw Data Library. All rights reserved.
PrivacyTerms
  1. Raw Data Library
  2. /
  3. Publications
  4. /
  5. 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"><…

Verified authors • Institutional access • DOI aware
50,000+ researchers120,000+ datasets90% satisfaction

Frequently asked questions

Is access really free for academics and students?

Yes. After verification, you can browse and download datasets at no cost. Some premium assets may require author approval.

How is my data protected?

Files are stored on encrypted storage. Access is restricted to verified users and all downloads are logged.

Can I request additional materials?

Yes, message the author after sign-up to request supplementary files or replication code.

Advance your research today

Join 50,000+ researchers worldwide. Get instant access to peer-reviewed datasets, advanced analytics, and global collaboration tools.

Get free academic accessLearn more
✓ Immediate verification • ✓ Free institutional access • ✓ Global collaboration
Article
English
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"><…

0 Datasets

0 Files

English
2012
Physical Review B
Vol 85 (4)
DOI: 10.1103/physrevb.85.045205

Get instant academic access to this publication’s datasets.

Create free accountHow it works
Access Research Data

Join our academic network to download verified datasets and collaborate with researchers worldwide.

Get Free Access
Institutional SSO
Secure
This PDF is not available in different languages.
No localized PDFs are currently available.
Kresse Georg
Kresse Georg

University of Vienna

Verified
Kresse Georg
Martijn Marsman
L. E. Hintzsche
+1 more

Abstract

Self-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.

How to cite this publication

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.

Related publications

Why join Raw Data Library?

Quality

Datasets shared by verified academics with rich metadata and previews.

Control

Authors choose access levels; downloads are logged for transparency.

Free for Academia

Students and faculty get instant access after verification.

Publication Details

Type

Article

Year

2012

Authors

4

Datasets

0

Total Files

0

Language

English

Journal

Physical Review B

DOI

10.1103/physrevb.85.045205

Join Research Community

Access datasets from 50,000+ researchers worldwide with institutional verification.

Get Free Access