Investigation of Chemical Bond Properties and Mssbauer Spectroscopy in YBa_2Cu_3O_7  

作　　者：高发明 李东春 张思远 

机构地区：[1]College of Materials Science and Chemical Engineering Yanshan University [2]Changchun Institute of Applied Chemistry Academia S inica

出　　处：《Journal of Rare Earths》2003年第1期60-63,共4页稀土学报（英文版）

基　　金：ProjectsupportedbytheNationalNaturalScienceFoundationofChina ( 2 98710 2 9)

摘　　要：Chemical bond properties of YBa 2Cu 3O 7 were studied by using the average ba nd-gap model. The calculated results show that the covalency of Cu(1)-O bond i s 0.406, and one of Cu(2)-O is 0.276. Mssbauer isomer shifts of 57Fe in Y-123 were calculated by the chemical surrounding factor h v defined b y covalency and electronic polarizability. The charge-state and site of Fe were determined. The relation between the coupling constant of electron-phonon inte raction and covalency is employed to explain that the Cu(2)-O plane is more im portant than the Cu(1)-O chain on the superconductivity in the Y-123 compound s.Chemical bond properties of YBa 2Cu 3O 7 were studied by using the average ba nd-gap model. The calculated results show that the covalency of Cu(1)-O bond i s 0.406, and one of Cu(2)-O is 0.276. Mssbauer isomer shifts of 57Fe in Y-123 were calculated by the chemical surrounding factor h v defined b y covalency and electronic polarizability. The charge-state and site of Fe were determined. The relation between the coupling constant of electron-phonon inte raction and covalency is employed to explain that the Cu(2)-O plane is more im portant than the Cu(1)-O chain on the superconductivity in the Y-123 compound s.

关 键 词：physical chemistry mssbauer spect roscopy chemical bond SUPERCONDUCTOR rare earths 

分 类 号：O482.5[理学—固体物理]