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フルテキストURL2008010263.pdf ( 287.4KB ) 公開日 2010-04-16
タイトルDisordered and displacive models for the structure of the normal phase of {N(CH_3)_4}_2MnCl_4
作成者Koshiji, Naohiro
Mashiyama, Hiroyuki
作成者ヨミコシジ, ナオヒロ
マシヤマ, ヒロユキ
作成者別表記増山, 博行
作成者所属山口大学大学院理工学研究科(理学)
内容記述(抄録等)The crystal structure of the normal phase in {N(CH_3)_4}_2MnCl_4 has been analyzed for two models: a displacive model and a disordered model. In the former model, the constituent tetrahedra of tetramethylammonium and tetrachloromanganate satisfy a mirror symmetry themselves imposed by the crystal symmetry. In the latter model, each tetrahedron occupies two equivalent positions related by the mirror symmetry with an equal occupation probability: split atom method. A special attention has been paid to their thermal parameters; the former model exhibits an abnormal increase of the parameters near the transition temperature indicating a critical phenomenon. From the significant test for the R factor, the latter model seems to be more adequate than the former one. The disorderness of tetrahedra of tetramethylammonium is also confirmed by double peaks in Fourier synthesis map. On the other hand, MnCl_4 can be well represented both by the displacive and the disordered models.
本文言語eng
著者キーワードnormal phase
structure analysis
displacive model
disordered model
split atom method
資料タイプtext
ファイル形式application/pdf
出版者The Physical Society of Japan
出版者ヨミニホン ブツリ ガッカイ
NII資料タイプ学術雑誌論文
査読の有無査読あり
ISSN0031-9015
NCIDAA00704814
掲載誌名Journal of the Physical Society of Japan
69
12
開始ページ3853
終了ページ3859
発行日2000
DOIinfo:doi/10.1143/JPSJ.69.3853
関連情報URL(IsPartOf)http://www.ipap.jp/jpsj/index.html
権利関係Copyright c (2002)The Physical Society of Japan
著者版/出版社版著者版
リポジトリID2008010263
地域区分山口大学
URIhttp://www.lib.yamaguchi-u.ac.jp/yunoca/handle/2008010263