METASTABILITY OF NBN IN THE ORDERED VACANCY NBO PHASE

Citation
Ec. Ethridge et al., METASTABILITY OF NBN IN THE ORDERED VACANCY NBO PHASE, Physical review. B, Condensed matter, 52(12), 1995, pp. 8589-8592
Citations number
18
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
52
Issue
12
Year of publication
1995
Pages
8589 - 8592
Database
ISI
SICI code
0163-1829(1995)52:12<8589:MONITO>2.0.ZU;2-G
Abstract
A metastable phase of NbN with superconducting T-c = 16.4 K was report ed recently by Treece and collaborators. The reported structure of the thin-film sample deviates from the rocksalt (B1) NbN structure with 2 5% ordered vacancies on each sublattice (space group Pm3m) and a latti ce constant of 4.442 Angstrom. Using full-potential electronic-structu re methods, we contrast the electronic structure with that of B1 NbN. The calculated energy, 1.00 eV/molecule higher than B1 NbN, and calcul ated lattice constant of 4.214 Angstrom indicate that the new phase mu st be something other than the ordered stoichiometric Pm3m phase.