A Pseudopotential Approach to the Structure of As
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概要
- 論文の詳細を見る
The internal energy of As crystal is investigated as a ftmnction of structureparamtteters and VOILIIIIC in ternrs of the pseudopotential expansion mvtethod. Anatomttic ntodel potential derived front Lin and Falicov's one is used. Calculationsin second order approxinmation explain successftmlly the stability of tlte UI1USLl8] A7structure of As, tlce tentperature dependence of structure paranteters, and pressure-induced phase transforntation froun A7 to simple cubic, but give rise to unusualresults in conflict with experinvental facts with respect to large VOIUIIIC changeThe third order contribution does not improve the situation. It is disctussed thatthese shortcomings are attribtmted to the truncated nature of Lin-Fajicov's po-tential,
- 社団法人日本物理学会の論文
- 1977-02-15
著者
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Abe Yutaka
Department Of Biotechnology And Life Science Faculty Of Engineering Tokyo University Of Agriculture
-
Morita Akira
Department Of Basic Science Ishinomaki Senshu University
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Abe Yutaka
Department Of Physics Fukushima University
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OKOSHI Ichiro
Department of Physics,Tohoku University
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Okoshi Ichiro
Department Of Physics Tohoku University
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