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.
引用
收藏
页码:525 / 530
页数:6
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