Zabidi, Noriza A. and Kassim, Hasan A. and Shrivastava, Keshav N. (2010) Crossing points in the electronic band structure of vanadium oxide. In: Meeting of the American Physical Society, 15-19 Mac 2010, Portland, USA. (Submitted)
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Abstract
The electronic band structures of several models of vanadium oxide are calculated. In the models 1-3, every vanadium atom is connected to 4 oxygen atoms and every oxygen atom is connected to 4 vanadium atoms. In model 1, a=b=c 2.3574 A; in model 2, a= 4.7148 A, b= 2.3574 A and c= 2.3574 A; and in model 3, a= 4.7148 A, b= 2.3574 A and c= 4.7148 A. In the models 4-6, every vanadium atom is connected to 4 oxygen atoms and every oxygen atom is connected to 2 vanadium atoms. In model 4, a=b= 4.551 A and c= 2.851 A; in model 5, a=b=c= 3.468 A; and in model 6, a=b=c= 3.171 A. We have searched for a crossing point in the band structure of all the models. In model 1 there is a point at which five bands appear to meet but the gap is 7.3 meV. In model 2 there is a crossing point between G and F points and there is a point between F and Q with the gap > 3.6608 meV. In model 3, the gap is very small, - 10-5 eV. In model 4, the gap is 5.25 meV. In model 5, the gap between Z and G points is 2.035 meV, and in model 6 the gap at Z point is 4.3175 meV. The crossing point in model 2 looks like one line is bent so that the supersymmetry is broken. When pseudopotentials are replaced by a full band calculation, the crossing point changes into a gap of2.72 x 10-4 eV.
| Item Type: | Conference or Workshop Item (Paper) |
|---|---|
| Funders: | UNSPECIFIED |
| Uncontrolled Keywords: | Vanadium oxide, band crossing points, supersymmetry |
| Subjects: | Q Science > QC Physics |
| Divisions: | Faculty of Science > Department of Physics |
| Depositing User: | Mr. Mohd Samsul Ismail |
| Date Deposited: | 18 Dec 2014 01:20 |
| Last Modified: | 09 Oct 2018 07:29 |
| URI: | http://eprints.um.edu.my/id/eprint/11258 |
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