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Electronic Structures and Properties of the Charged Model Clusters Relating to High-$T_c$ Superconductor $Y{Ba_2}{Cu_3}{O_{7-x}}$
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  • Electronic Structures and Properties of the Charged Model Clusters Relating to High-$T_c$ Superconductor $Y{Ba_2}{Cu_3}{O_{7-x}}$
저자명
Paek. U-Hyon,Lee. Kee-Hag,Sung. Yong-Kiel,Lee. Wang-Ro
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1991년|12권 6호|pp.606-612 (7 pages)
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대한화학회
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정기간행물|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

We have carried out an extended Huckel calculation to rationalize the role of $CuO_3$ chains and the size effect of the charged model clusters for the following charged model culsters : ${{Cu_6}{O_{21}}^{28-},;{{Cu_6}{O_{22}}^{30-};,{{Cu_9}{O_{30}}^{39-};,{{Cu_9}{O_{32}}^{43-};,{{Cu_{12}{O_{38}}^{48-};,{{Cu_{15}{O_{50}}^{65-};,{{Cu_{18}{O_{54}}^{66-};,{{Cu_{18}{O_{55}}^{68-};,{{Cu_{24}{O_{70}}^{84-};and;{{Cu_{27}{O_{78}}^{93-}$ for high-$T_c$ superconductor $YBa_2Cu_3O_7$: ${{Cu_6}{O_{18}}^{22-};,{{Cu_9}{O_{26}}^{31-}};,{{Cu_{12}{O_{32}}^{36-};,{{Cu_{15}{O_{42}}^{49-};,{{Cu_{18}{O_{46}}^{50-};,{{Cu_{24}{O_{60}}^{64-};and;{{Cu_{27}{O_{66}}^{69-}$ for insulator $YBa_2Cu_3O_6$. The results show that the electronic structures and properties of the charged model clusters relating to high-$T_c$ superconductor are very sensitive to the size change of the clusters with various environmental effects, wherease those of the charged model clusters for insulator $YBa_2Cu_3O_6$ are monotonous to the size change. The $CuO_3$ chains along the b-direction may yield cooperative electronic coupling with the $CuO_2$ layers in determining both conducting and superconducting properties of $YBa_2Cu_3O_{7-x}$ system.