METASTABILITY OF NBN IN THE ORDERED VACANCY NBO PHASE

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 | 1995年 / 52卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.52.R8589

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A metastable phase of NbN with superconducting T-c = 16.4 K was reported recently by Treece and collaborators. The reported structure of the thin-film sample deviates from the rocksalt (B1) NbN structure with 25% ordered vacancies on each sublattice (space group Pm3m) and a lattice constant of 4.442 Angstrom. Using full-potential electronic-structure methods, we contrast the electronic structure with that of B1 NbN. The calculated energy, 1.00 eV/molecule higher than B1 NbN, and calculated lattice constant of 4.214 Angstrom indicate that the new phase must be something other than the ordered stoichiometric Pm3m phase.

引用

页码：R8589 / R8592

页数：4

共 18 条

[1]

Andersen O. K., 1984, BASIC PROPERTIES BIN, P21

[2] MOLECULAR ORBITAL TREATMENT OF BONDING IN CERTAIN METAL ATOM CLUSTERS [J].