Metastability of NbN in the ordered vacancy NbO phase

Дата и время публикации : 1995-05-24T14:14:54Z

Авторы публикации и институты :
E. C. Ethridge (Complex Systems Theory Branch, Naval Research Laboratory, Washington DC)
S. C. Erwin (Complex Systems Theory Branch, Naval Research Laboratory, Washington DC)
W. E. Pickett (Complex Systems Theory Branch, Naval Research Laboratory, Washington DC)

Ссылка на журнал-издание: Ссылка на журнал-издание не найдена
Коментарии к cтатье: REVTeX, 11 pages, 4 Postscript figures
Первичная категория: mtrl-th

Все категории : mtrl-th, cond-mat.mtrl-sci

Краткий обзор статьи: A metastable phase of NbN with superconducting Tc=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 Angstroms. 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 Angstroms indicate that the new phase must be something other than the ordered stoichiometric Pm3m phase.

Category: Physics