Nb4N3: Polymorphism in crystalline niobium nitrides

被引：8

作者：

Ethridge, EC

Erwin, SC

Pickett, WE

机构：

[1] Complex Systems Theory Branch, Naval Research Laboratory, Washington

来源：

PHYSICAL REVIEW B | 1996年 / 53卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.53.12563

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Local-density-based electronic structure methods are applied to gamma-NbN (tetragonal Nb4N3) to compare it to the strong-coupling superconductor NbN (rocksalt structure) and to the recently proposed Pm3m 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-1) than in the other two phases.

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页码：12563 / 12565

页数：3

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