Density functional theory investigation of site predilection of Fe substitution in barium titanate

Density functional theory investigation of site predilection of Fe substitution in barium titanate

The site predilection and effects of the impurity in the form of Fe (II) and Fe (III) in the tetragonal barium titanate lattice were systematically determined by density function theory calculations. All electron calculation was carried out in the local density approximation (LDA). It is shown that...

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書目詳細資料
Main Authors:	Piyarat Nimmanpipug, Aroon Saelor, Laongnuan Srisombat, Vannajan Sanghiran Lee, Yongyut Laosiritaworn
格式:	雜誌
出版:	2018
主題:	Chemical Engineering Materials Science
在線閱讀:	https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84875719819&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/52350
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