ELECTRONIC-STRUCTURE OF THE HCP NI-NB METASTABLE CRYSTALLINE PHASE

Authors
HUANG XY PAN JS FAN YD
Citation
Xy. Huang et al., ELECTRONIC-STRUCTURE OF THE HCP NI-NB METASTABLE CRYSTALLINE PHASE, Materials letters, 28(4-6), 1996, pp. 437-440
Citations number
25
Categorie Soggetti
Material Science","Physics, Applied
Journal title
Materials letters → ACNP
ISSN journal
0167577X
Volume
28
Issue
4-6
Year of publication
1996
Pages
437 - 440
Database
ISI
SICI code
0167-577X(1996)28:4-6<437:EOTHNM>2.0.ZU;2-F
Abstract
The electronic structure of the hcp Ni75Nb25 metastable crystalline ph ase has been investigated by using the first-principles discrete varia tional X alpha method. The total energy curve of this metastable cryst alline phase is calculated as a function of the lattice constant using a 19-atom cluster. The predicted equilibrium lattice parameter of thi s hcp phase agreed well with the experimental value.