Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment
Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment
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DOI：
10.1103/physrevlett.113.165503
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发表时间：
2014-10-14
影响因子：
8.6
通讯作者：
Neugebauer, J.
中科院分区：
文献类型：
--
作者：
Koermann, F.;Grabowski, B.;Neugebauer, J.
基于从头计算的框架定量评估声子的贡献，由于磁振子-声子相互作用和晶格膨胀的发展。体心立方铁的理论结果与高质量的声子频率测量结果非常吻合。对于某些声子分支，磁振子-声子相互作用比由于晶格膨胀引起的声子位移大一个数量级，这表明即使在居里温度以上，磁短程有序也会产生强烈的影响。该框架关闭了铁磁和顺磁极限之间的先前模拟差距。
An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results for bcc Fe are in very good agreement with high-quality phonon frequency measurements. For some phonon branches, the magnon-phonon interaction is an order of magnitude larger than the phonon shift due to lattice expansion, demonstrating the strong impact of magnetic short-range order even significantly above the Curie temperature. The framework closes the previous simulation gap between the ferro-and paramagnetic limits.