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Nb{sub 4}N{sub 3}: Polymorphism in crystalline niobium nitrides

Journal Article · · Physical Review, B: Condensed Matter
; ;  [1]
  1. 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