Molecular magnets explored by density functional theory calculations

被引：6
|
作者：
Kortus, Jens [1 ]
机构：
[1] TU Bergakad Freiberg, Inst Theoret Phys, D-09599 Freiberg, Germany
来源：
COMPTES RENDUS CHIMIE | 2007年 / 10卷 / 1-2期
关键词：
molecular magnetism; nanomagnets; DFT magnetic anisotropy;
D O I：
10.1016/j.crci.2006.07.009
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
After a short introduction in the field of molecular magnetism, we focus on calculations of the magnetic anisotropy energy based on density functional theory. The results obtained make one confident in the predictive power of the formalism.
引用
收藏
页码：65 / 67
页数：3
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