Citation: Fa Ming GAO, Dong Chun LI, Yan Zhi WANG, Yong Jun TIAN, Min Zi CHEN, Si Yuan ZHANG. Bonding and Mössbauer Isomer Shifts in (Tl,Pb)-1223 Cuprate[J]. Chinese Chemical Letters, ;2002, 13(4): 367-370. shu

Bonding and Mössbauer Isomer Shifts in (Tl,Pb)-1223 Cuprate

1.
College of Materials Science and Chemical Engineering, Yanshan University, Qinghuangdao 066004;
2.
Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chcmisiry. Chinese Acadcmy of Scicnccs, Changchun 130022

Received Date: 17 August 2001

Fund Project: Wc thank the National Natural Science Foundation of China (to grant No. 29903006 and 29973023) and the Visiting Scholar Foundation of Key Laboratory in University of China for their financial support.

By using the chemical bond theory of dielectric description,the chemical bond parameters of (Tl,Pb)-1223 was calculated.The results show that the Sr-O,Tl-O,and Ca-O types of bond have higher ionic character and the Cu-O types of bond have more covalent character.Mössbauer isomer shifts of ⁵⁷Fe and 119Sn doped in (Tl,Pb)-1223 were calculated by using the chemical environmental factor,h_e,defined by covalency and electronic polarizability.Four valence state tin and three valence iron sites were identified in ⁵⁷Fe,and ¹¹⁹Sn doped (Tl,Pb)-1223 superconductor.We conclude that all of the Fe atoms substitute the Cu at square planar Cu (1) site,whereas Sn prefers to substitute the square pyramidal Cu (2) site.
- Chemical bond,
- Mössbauer isomer shift,
- superconductor
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