Investigation of Chemical Bond Properties and Mssbauer Spectroscopy in YBa2Cu3O7
来源期刊：JOURNAL OF RARE EARTHS2003年第1期
论文作者：张思远 高发明 李东春
Key words：physical chemistry; mssbauer spectroscopy; chemical bond; superconductor; rare earths;
Abstract: Chemical bond properties of YBa2Cu3O7 were studied by using the average band-gap model. The calculated results show that the covalency of Cu(1)-O bond is 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 hv defined by covalency and electronic polarizability. The charge-state and site of Fe were determined. The relation between the coupling constant of electron-phonon interaction and covalency is employed to explain that the Cu(2)-O plane is more important than the Cu(1)-O chain on the superconductivity in the Y-123 compounds.
张思远1，高发明2，李东春2
(1.Changchun Institute of Applied Chemistry Academia Sinica, Changchun 130022, China;
2.College of Materials Science and Chemical Engineering, Yanshan University, Qinghuangdao 066004,China)
Abstract:Chemical bond properties of YBa2Cu3O7 were studied by using the average band-gap model. The calculated results show that the covalency of Cu(1)-O bond is 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 hv defined by covalency and electronic polarizability. The charge-state and site of Fe were determined. The relation between the coupling constant of electron-phonon interaction and covalency is employed to explain that the Cu(2)-O plane is more important than the Cu(1)-O chain on the superconductivity in the Y-123 compounds.
Key words:physical chemistry; mssbauer spectroscopy; chemical bond; superconductor; rare earths;
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