Journal
PHYSICAL REVIEW LETTERS
Volume 104, Issue 6, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.104.065501
Keywords
-
Categories
Funding
- U.S. Department of Energy [DE-AC02-05CH11231]
- National Energy Research Scientific Computing Center (NERSC)
- National Center for Computational Sciences (NCCS)
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available