LOCAL SPIN-DENSITY FUNCTIONAL-APPROACH TO THE THEORY OF EXCHANGE INTERACTIONS IN FERROMAGNETIC METALS AND ALLOYS
LOCAL SPIN-DENSITY FUNCTIONAL-APPROACH TO THE THEORY OF EXCHANGE INTERACTIONS IN FERROMAGNETIC METALS AND ALLOYS
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DOI：
10.1016/0304-8853(87)90721-9
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发表时间：
1987-05-01
影响因子：
2.7
通讯作者：
GUBANOV, VA
中科院分区：
文献类型：
--
作者：
LIECHTENSTEIN, AI;KATSNELSON, MI;GUBANOV, VA
使用局域自旋密度泛函 (LSDF) 方法和 KKR-Green 函数形式获得了应用于晶体的经典海森堡模型交换参数的严格表达式。无需对交换相互作用的特征进行任何模型假设即可获得铁磁金属的自旋波刚度常数和居里温度 (Tc)。在单点 CPA 理论框架中研究了二元铁磁合金 Tc 的浓度依赖性。对简单金属Fe、Ni和无序NiPd合金进行了相应的计算。
Rigorous expressions for the exchange parameters of classical Heisenberg model applied to crystals are obtained using a local spin density functional (LSDF) approach and KKR-Green functions formalism. The spin wave stiffness constant and Curie temperature (Tc) of ferromagnetic metals are obtained without any model assumptions as to the character of exchange interactions. The concentration dependence ofTcfor binary ferromagnetic alloys is investigated in the framework of the single-site CPA-theory. The corresponding calculations are carried out for simple metals Fe, Ni and disordered NiPd alloys.