Quasiparticle band structure of lanthanum hydride
Journal Article
·
· Physical Review B
We address the problem of the ground-state character of LaH{sub 3}, a semiconductor compound predicted to be semimetallic within density-functional theory. An ab initio, quasiparticle calculation is peformed whose results indicate a very large 1.1 eV opening of the band gap. Such results are obtained using the GW approximation in the calculation of the self-energy operator. The results are compared to existing experimental data.
- Research Organization:
- Lawrence Berkeley National Laboratory
- Sponsoring Organization:
- (US)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 40277700
- Report Number(s):
- LBNL-49830
- Journal Information:
- Physical Review B, Journal Name: Physical Review B Journal Issue: 15 Vol. 64; ISSN 0163-1829
- Publisher:
- The American Physical Society
- Country of Publication:
- United States
- Language:
- English
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