Structural Change of a Tetrahedral Four-Site System with Arbitrary Electron Occupancy

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概要

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• XX7e hax'e perf'orttaed a cottrprehensive theoretic?tl sttrdy on tlae strtrcttrral change of' a tetrahedral(T,j) f'otrr-site systezaa, xvluich is the utaost coraceixvalcle sitaaple naodel f'or xxariovts point def'ects incovalent seuaaicotadtrctors, for all jcossi1.cle electron (laole) occtrp?tncies. The systeuaa is characterizedIcy the electron transf'er eraergy T, on-site COLIIOIIII) reptrlsion energy U and the lattice relaxationeuaergy .5. Possible st;able strtrctural configtrrsttions arad their starbilities are deternained exactlyfor the electrozaic ground stnd excited st?ries. The syrtataaetry of' the stable strtrcttrres are found tobe T.1, C3., C2., C. or Cl dejcetuding on the electrota ntrnaber n (:O x 8), the electron spin .5, andthe relative strer'xgths of T, U and S . Tl?e taainitautrtaa of the grottnd state etaergy of the low'est spin.5, state is loxver than those of' higher spin st?ttes except for n : 5 and 6. The obtatined results areapplied to disctrss the strttcttrrzrl claange of' point def'ects in grotrp TV and III-V setaaicondtrctors.Becatrse of' the absence of tlae electron-hole syuntaaetry, the off'-center irastability of a strbstittrtionaldeep-irnpurity is tnore f'avoralcle I'or acceptor tlaan for donor.

• 社団法人日本物理学会の論文
• 1998-10-15

著者

• El-maghraby Mohamed

  Department Of Applied Science Faculty Of Engineering Yamaguchi University

• Shinozuka Yuzo

  Department Of Applied Science Faculty Of Engineering Yamaguchi University

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