Pressure induced structural and electronic bandgap properties of anatase and rutile TiO2

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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...

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Bibliographic Details
Main Authors:	Tariq Mahmood, Chuanbao Cao, Rashid Ahmed, Maqsood Ahmed, Saeed, M.A, Abrar Ahmed Zafar, Talab Husain, Kamran, M.A
Format:	Article
Language:	English
Published:	Universiti Kebangsaan Malaysia 2013
Online Access:	http://journalarticle.ukm.my/5909/ http://journalarticle.ukm.my/5909/1/17%2520Tariq.pdf

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