Electronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked againstGWband structure calculations and experiments-Reference-Cited by-同舟云学术

Electronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked againstGWband structure calculations and experiments

Published:2015-04-02 Issue:15 Volume:91 Page:
ISSN:1098-0121
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Gerosa Matteo,Bottani Carlo Enrico,Caramella Lucia,Onida Giovanni,Di Valentin Cristiana,Pacchioni Gianfranco

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

Fondazione Cariplo

Publisher

American Physical Society (APS)

Subject

Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.91.155201/fulltext

Reference138 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities

3. Density-Functional Theory of the Energy Gap

4. Electronic excitations: density-functional versus many-body Green’s-function approaches

5. New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem

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