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Elastic, electronic and optical properties of baddeleyite TiO2 by first-principles

Baddeleyite TiO2 is one of the most important phases of titanium dioxide, from technological and industrial point of view. We have carried out theoretical investigation by using plane wave ultrasoft pseudopotential methods based on density functional theory. The Electronic band structure, elastic co...

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主要な著者:	Mahmood, Tariq, Cao, Chiuanbao, Ahmad Zafar, Abrar, Hussain, Talab, Ahmed, Maqsood, Saeed, Mohammad Alam, Usman, Zahid, Khan, Waheed S.
フォーマット:	論文
出版事項:	Elsevier Ltd. 2014
主題:	Q Science
オンライン･アクセス:	http://eprints.utm.my/id/eprint/52633/ http://dx.doi.org/10.1016/j.mssp.2014.09.001
タグ:	タグ追加タグなし, このレコードへの初めてのタグを付けませんか!

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