Exchange interactions and Curie temperature of Y-Co compounds
Exchange interactions and Curie temperature of Y-Co compounds
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DOI：
10.1109/tmag.2003.815744
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发表时间：
2003-09-01
影响因子：
2.1
通讯作者：
Sellmyer, DJ
中科院分区：
文献类型：
--
作者：
Kashyap, A;Skomski, R;Sellmyer, DJ
用自洽自旋极化电子结构方法研究了稀土钴金属间化合物的居里温度。Y-Co化合物的计算。一个给定的网站与所有其他网站（J（o））的总交换相互作用的计算使用局部力定理的线性muffintin轨道方法，并获得平均场居里温度估计。YCo 3、YCo 5和Y2 Co 17的理论预测与实验居里温度相当一致。对于YCo 5，交换相互作用（J（ij））与距离的变化进行了分析，并讨论了如何存在的非等价钴网站影响的化合物的居里温度。
The Curie temperature of rare-earth Co intermetallics is investigated by self-consistent spin-polarized electronic-structure. calculations on Y-Co compounds. The total exchange interaction of a given site with all other sites (J(o)) is calculated by the linear-muffin-tin-orbital method using the local force theorem and employed to obtain mean-field Curie-temperature estimates. The theoretical predictions for YCo3, YCo5, and Y2Co17 are in fair agreement with the experimental Curie temperatures. For YCo5, the variation of exchange interactions (J(ij)) with distance is analyzed, and it is discussed how the presence of nonequivalent cobalt sites affects the Curie temperature of the compounds.