Journal
PHYSICA B-CONDENSED MATTER
Volume 403, Issue 10-11, Pages 1876-1881Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physb.2007.10.342
Keywords
III-V semiconductors; DFT; FPLAPW; exchange-correlation functional; cohesive energy calculations; band structure of crystalline solids
Categories
Ask authors/readers for more resources
We use density functional theory and different forms of the exchange-correlation approximation to calculate the structural and electronic properties of tetrahedrally coordinated III-phosphide semiconductors. The computed results for structural properties using generalized gradient approximation (GGA) agree well with the experimental data. For reliable description of energy band gap values, another form of GGA developed by Engel and Vosko has been applied. As anticipated, boron phosphide was found to be the hardest compound due to the strong B-P covalent bonding. (c) 2007 Elsevier B.V. All rights reserved.
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
Share Paper
