The DOI matches its Crossref record; 11 of the 11 references it cites were found in a registry or an index.
All-Electron Self-ConsistentGWApproximation: Application to Si, MnO, and NiO
Open accessAbstract
We present a new kind of self-consistent GW approximation based on the all-electron, full-potential linear muffin-tin orbital method. By iterating the eigenfunctions of the GW Hamiltonian, self-consistency in both the charge density and the quasiparticle spectrum is achieved. We explain why this form of self-consistency should be preferred to the conventional one. Some results for Si (a representative semiconductor) are presented. Finally we consider many details in the electronic structure of the antiferromagnetic insulators MnO and NiO. Excellent agreement with experiment is shown for many properties, suggesting that a Landau quasiparticle (energy band) picture provides a reasonable description of electronic structure even in these correlated materials.
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Cites
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
Dudarev, S. L., Botton, G. A., Savrasov, S. Y., Humphreys, C. J., & Sutton, A. P. (1998) · Physical Review B · doi:10.1103/physrevb.57.1505 · Cited by 15,173
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Magnitude and Origin of the Band Gap in NiO
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Fully self-consistentGWself-energy of the electron gas
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Cited by
ABINIT: First-principles approach to material and nanosystem properties
Gonze, X., Amadon, B., Anglade, P.-M., Beuken, J.-M., Bottin, F., Boulanger, P., Bruneval, F., Caliste, D., Caracas, R., Côté, M., et al. (2009) · Computer Physics Communications · doi:10.1016/j.cpc.2009.07.007 · Cited by 2,701
Quasiparticle Self-ConsistentGWTheory
van Schilfgaarde, M., Kotani, T., & Faleev, S. (2006) · Physical Review Letters · doi:10.1103/physrevlett.96.226402 · Cited by 989
Self-citationImplementation and performance of the frequency-dependentGWmethod within the PAW framework
Shishkin, M., & Kresse, G. (2006) · Physical Review B · doi:10.1103/physrevb.74.035101 · Cited by 960
Quasiparticle band structures and optical properties of strained monolayer MoS2and WS2
Shi, H., Pan, H., Zhang, Y.-W., & Yakobson, B. I. (2013) · Physical Review B · doi:10.1103/physrevb.87.155304 · Cited by 911
Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections
Shishkin, M., Marsman, M., & Kresse, G. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.246403 · Cited by 734
Metadata
- Authors
- Faleev, S. V., van Schilfgaarde, M., & Kotani, T.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2004-09-17
- Volume
- 93
- Issue
- 12
- Pages
- 126406-126406
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2032912527
- Cited by
- 554
- References
- 11
- FWCI
- 9.21
- Type
- journal article
- Language
- en
- Open access
- green
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- Faleev, S. V., van Schilfgaarde, M., & Kotani, T. (2004). All-Electron Self-ConsistentGWApproximation: Application to Si, MnO, and NiO. Physical Review Letters. https://doi.org/10.1103/physrevlett.93.126406
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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