期刊
PHYSICAL REVIEW LETTERS
卷 104, 期 6, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.104.065501
关键词
-
资金
- U.S. Department of Energy [DE-AC02-05CH11231]
- National Energy Research Scientific Computing Center (NERSC)
- National Center for Computational Sciences (NCCS)
A new model Hamiltonian is developed to describe the ab initio energy differences of the nonisovalent alloy configurations based on the semiconductor electron counting rule. Monte Carlo simulations using this Hamiltonian show strong short range order of the GaN/ZnO alloy, which has significant effects on its electronic structure. We also predict further reduction of the band gap by increasing the synthesis temperature.
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