ID | 15383 |
JaLCDOI | |
Sort Key | 9
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フルテキストURL | |
著者 |
東辻 千枝子
Department of Electrical and Electronic Engineering
Sanaka Yoshiaki
Department of Electrical and Electronic Engineering
東辻 浩夫
Department of Electrical and Electronic Engineering
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抄録 | Based on the tight-binding method, electronic bands of the mixed perovskite oxides are calculated in order to develop the electronic theory of ferroelectric phase transitions in these mixtures which are difficult to describe within the phenomenological theories. Diagonal elements of Hamiltonian matrix of parent materials are assumed to differ by 0.1eV and mixtures are simulated by lattices of supercells containing 2(3) = 8 or 3(3) = 27 unit cells randomly assigned to either material. The width of the conduction and valence bands have maxima and the band gap has a minimum at intermediate mixing ratio. Results are in agreement with those of other analyses on random systems and even 2(3)-cell computation seems to serve as a first approximation for our purpose.
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出版物タイトル |
Memoirs of the Faculty of Engineering, Okayama University
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発行日 | 1995-12-28
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巻 | 30巻
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号 | 1号
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出版者 | Faculty of Engineering, Okayama University
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出版者(別表記) | 岡山大学工学部
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開始ページ | 89
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終了ページ | 97
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ISSN | 0475-0071
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NCID | AA10699856
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資料タイプ |
紀要論文
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OAI-PMH Set |
岡山大学
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言語 |
英語
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論文のバージョン | publisher
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NAID | |
Eprints Journal Name | mfe
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