- All Journals
- Al-Qadisiyah University
- Basrah University
- Kirkuk University
- Mosul University
- The Iraqi Borad for Medical Specialization
- University of Anbar
- University of Technology
- Al Mustafa University
- Al-Zahraa University for Women
- Alnoor University
- Kunooz University
- Misan University
- Ninevah University
- Tikrit University
- University of Al-Hamdaniya
- University of Kerbala
Nano-Scale core effects on electronic structure properties of gallium arsenide | ||
| Iraqi Journal of Physics | ||
| Article 1, Volume 10, Issue 17, 2012, Pages 23-28 | ||
| Authors | ||
| Thekra Kasim; Akram H. Taha; Mohammed T. Hussein | ||
| Abstract | ||
| Ab – initio density function theory (DFT) calculations coupled with Large Unit Cell (LUC) method were carried out to evaluate the electronic structure properties of III-V zinc blend (GaAs). The nano – scale that have dimension (1.56-2.04)nm. The Gaussian 03 computational packages has been employed through out this study to compute the electronic properties include lattice constant, energy gap, valence and conduction band width, total energy, cohesive energy and density of state etc. Results show that the total energy and energy gap are decreasing with increase the size of nano crystal . Results revealed that electronic properties converge to some limit as the size of LUC increase . | ||
| Keywords | ||
| initio density Function theory; Nano; Electronic structure | ||
|
Statistics Article View: 82 PDF Download: 28 |
||