期刊
PHYSICAL REVIEW B
卷 65, 期 12, 页码 -出版社
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.65.125206
关键词
-
The three-dimensional band structure of the III-VI layer compounds GaSe and InSe has been investigated in the tight-binding approach. The pseudo-Hamiltonian matrix elements in the sp(3)s(*) basis are fit in order to reproduce the nonlocal pseudopotential band structure, in the framework of constrained optimization techniques using the conjugate gradient method. The results are in good agreement with the optical and photoemission experimental data. The scaling laws appropriate to the covalent bonding are violated by a fraction of eV only, which suggests that the interlayer interactions are not solely of the van der Waals type.
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