期刊
PHYSICAL REVIEW B
卷 82, 期 5, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.82.054109
关键词
-
资金
- STCU [4682]
- U.S. Department of Energy by the Lawrence Livermore National Laboratory [DE-AC52-07NA27344]
First-principles pseudopotential calculations were performed to investigate the structural stability of various phases of niobium nitrides NbN(x). The stability of the NaCl-, NiAs-, AsNi-, and CW (anti-WC)-type NbN phases, the substoichiometric Nb(8)N(7), Nb(4)N(3), and Nb(32)N(31) compounds are analyzed on the basis of the results of electronic structure and phonon calculations. The behavior of these structures under uniaxial tensile strain was investigated. The electronic origin of the soft phonon modes and the mechanical properties of niobium nitrides are discussed.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据