Pressure induced structural and electronic bandgap properties of anatase and rutile TiO2
In this study, we present the structural and electronic bandgap properties of anatase and rutile titanium dioxide by applying ultrasoft pseudo-potential plane wave approach developed within the frame of density functional theory (DFT). We used generalized gradient approximation (GGA) proposed by Per...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Universiti Kebangsaan Malaysia
2013
|
| Online Access: | http://journalarticle.ukm.my/5909/ http://journalarticle.ukm.my/5909/ http://journalarticle.ukm.my/5909/1/17%2520Tariq.pdf |