期刊
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
卷 40, 期 6, 页码 2125-2127出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physe.2007.10.022
关键词
semiconductors; electronic structure; density functional theory
Details of the band gaps within semiconductor materials are of paramount importance to a wide range of technological applications. We present the results of an hybrid exchange, B3LYP, approximation to density functional theory for the band gaps of zinc-blend and wurtzite structured III-V materials. Agreement with experimentally derived band gaps at characteristic points in the first Brillouin zone is at least as good as that obtained with correlated calculations, perturbation theories and screened exchange functionals. (C) 2007 Elsevier B.V. All rights reserved.
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