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ID 15383
Eprint ID
15383
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
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.
発行日
1995-12-28
出版物タイトル
Memoirs of the Faculty of Engineering, Okayama University
出版物タイトル(別表記)
岡山大学工学部紀要
30巻
1号
出版者
Faculty of Engineering, Okayama University
出版者(別表記)
岡山大学工学部
開始ページ
89
終了ページ
97
ISSN
0475-0071
NCID
AA10699856
資料タイプ
紀要論文
言語
English
OAI-PMH Set
岡山大学
論文のバージョン
publisher
査読
無し
Sort Key
9
Eprints Journal Name
mfe