Nb{sub 4}N{sub 3}: Polymorphism in crystalline niobium nitrides
Journal Article
·
· Physical Review, B: Condensed Matter
- Complex Systems Theory Branch, Naval Research Laboratory, Washington, DC 20375 (United States)
Local-density-based electronic structure methods are applied to {gamma}-NbN (tetragonal Nb{sub 4}N{sub 3}) to compare it to the strong-coupling superconductor NbN (rocksalt structure) and to the recently proposed {ital Pm}3{ital m} NbN phase, (NbO structure) which has a similar transition temperature. In certain respects {gamma}-NbN is intermediate between the other phases, as might be expected, but overall the electronic spectrum more closely resembles rocksalt NbN. The N ion in {gamma}-NbN is more highly charged (N{sup {minus}1}) than in the other two phases. {copyright} {ital 1996 The American Physical Society.}
- OSTI ID:
- 284351
- Journal Information:
- Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 19 Vol. 53; ISSN 0163-1829; ISSN PRBMDO
- Country of Publication:
- United States
- Language:
- English
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