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首页> 外文期刊>Physica status solidi, B. Basic research >Numerical simulation of the lattice properties of Fe 1– x 1– xx Co x xx Si – strongly correlated electron systems
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Numerical simulation of the lattice properties of Fe 1– x 1– xx Co x xx Si – strongly correlated electron systems

机译:Fe的晶格特性的数值模拟 1- x 1- x x CO. x x x SI - 强相关的电子系统

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摘要

> Within the framework of a thermodynamic model, the phonon anharmonicity associated with both acoustic and optical vibrations of the crystal lattice is investigated. On this basis we have performed self‐consistent simulations of thermal and elastic properties of FeSi and CoSi compounds and their solid solutions Fe 1– x Co x Si ( x ?=?0.1, 0.3, 0.5), which are promising spintronic materials. The non‐lattice contributions to the heat capacity and coefficient of thermal expansion of the considered systems have been established. It is shown that the Invar effect observed in Fe 0.7 Co 0.3 Si and Fe 0.5 Co 0.5 Si is associated with anomalies of their electronic and magnetic subsystems.
机译: 在热力学模型的框架内,研究了与晶体晶格的声学和光学振动相关的声音anhAdonicity。在此基础上,我们已经进行了FeSi和Cosi化合物的热和弹性性能的自我一致的模拟及其固溶体Fe 1- x CO. x Si( x ?=?0.1,0.3,0.5),其具有旋转性材料。已经建立了对考虑系统的热容量和热膨胀系数的非晶格贡献。表明在Fe中观察到的Invar效应 0.7 CO. 0.3 SI和FE. 0.5 CO. 0.5 SI与其电子和磁性子系统的异常相关联。

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