Electronic structure and physical properties of early transition metal mononitrides: Density-functional theory LDA, GGA, and screened-exchange LDA FLAPW calculations

By C. Stampfl, W. Mannstadt, R. Asahi, A. Freeman. 2001

456 citations recorded by the source corpus.

Subfields: Condensed Matter Physics, Materials Chemistry, Mechanics of Materials

View Paper: https://www.semanticscholar.org/paper/3c253da1b7a37a1073b331099eb5205f9dc76583

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Condensed Matter Physics

1. Leeor Kronik
2. P. Patsalas
3. Stephan Kümmel
4. N. Kalfagiannis
5. S. Kassavetis

In Materials Chemistry

1. N. Kalfagiannis
2. S. Kassavetis
3. Leeor Kronik
4. P. Patsalas
5. Stephan Kümmel
6. Lubos Mitas
7. J. Kolorenč
8. R. Beranek

In Mechanics of Materials

1. N. Kalfagiannis
2. S. Kassavetis
3. Leeor Kronik
4. P. Patsalas
5. Stephan Kümmel

Citations in the corpus

• Optical Properties and Plasmonic Performance of Titanium Nitride (2015, background): “Its electronic conductivity is due to the partially filled valence Ti-3d orbitals that are not completely hybridized with the N-2p electrons [80–82].”
• Orbital-dependent density functionals: Theory and applications (2008, methodology): “…LDA. the sx-LDA has also been applied successfully to gap predictions in oxides see, e.g., Asahi et al., 2002; Robertson et al., 2006 and nitrides Stampfl et al., 2001 and has been reported to offer a significant improvement over semilocal functionals for the energy position of vacancy levels in…”