SEMICLASSICAL APPROXIMATION IN THE MAGNETIC PROBLEM OF EXCHANGE-COUPLED MIXED-VALENCE CLUSTERS

被引:22
|
作者
BORRASALMENAR, JJ [1 ]
CORONADO, E [1 ]
KISHINEVSKY, HM [1 ]
TSUKERBLAT, BS [1 ]
机构
[1] MOLDAVIAN ACAD SCI,INST CHEM,DEPT QUANTUM CHEM,KISHINEV 277028,MOLDOVA
关键词
D O I
10.1016/0009-2614(93)E1430-O
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The frameworks of the applicability of the semiclassical adiabatic approach suggested by Borras-Almenar, Coronado and Tsukerblat to the magnetic problem of mixed valence clusters are considered in a model taking into account magnetic exchange, double exchange and vibronic interaction. The results for the quantum-mechanical and semiclassical calculation of the temperature-variable magnetic moments are compared with those within the scope of the semiclassical approximation for the dimeric d(1)-d(2) clusters and trimeric d(1)-d(1)-d(2) systems with partial delocalization over a pair of ions. The semiclassical approach describes with high accuracy the temperature dependencies of the magnetic moments. Cases of the inapplicability of the semiclassical approach are pointed out.
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页码:525 / 530
页数:6
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