Interpretation of the 119Sn Mossbauer parameters

被引:50
作者
Lippens, PE [1 ]
Olivier-Fourcade, J [1 ]
Jumas, JC [1 ]
机构
[1] Univ Montpellier 2, Lab Agregats Mol & Mat Inorgan, CNRS, UMR 5072, F-34095 Montpellier 05, France
来源
HYPERFINE INTERACTIONS | 2000年 / 126卷 / 1-4期
关键词
D O I
10.1023/A:1012653014106
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
The variations of the Sn-119 Mossbauer isomer shift delta are interpreted for tin compounds from a semi-empirical tight-binding calculation of the electronic density at the nucleus rho(0). A molecular model is proposed in order to relate the variations of rho(0) for the Sn(IV) chalcogenides to the changes in the Sn environment. The variations of the experimental values of the quadrupole splitting delta are linearly correlated to the values of the electric field gradients (EFG) calculated by the full-potential linearized-augmented-plane-wave (FP-LAPW) method. The value of the Sn-119 nuclear quadrupole moment is found to be \Q\ = 10.5 +/- 0.2 fm(2). Finally, the relation between the EFG and the Sn environment is discussed for SnO.
引用
收藏
页码:137 / 141
页数:5
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