| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1814783 | Physica B: Condensed Matter | 2008 | 6 Pages |
Abstract
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.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Rashid Ahmed, Fazal-e-Aleem, S. Javad Hashemifar, Hadi Akbarzadeh,