Subnitride chemistry : A first-principles study of the NaBa3N, Na5Ba3N, and Na16Ba6N phases

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Bibliographic Details
Published in:Journal of solid state chemistry 2005-04, Vol.178 (4), p.1023-1029
Main Author: OLIVA, Josep M
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Density functional theory, local density approximation
Electron density of states and band structure of crystalline solids
Electron states
Exact sciences and technology
Other inorganic compounds
Physics
Theories and models of many electron systems
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ISSN:0022-4596
1095-726X
DOI:10.1016/j.jssc.2004.12.041