Khmelevskyi S, Turek I, Mohn P
Center for Computational Materials Science, Vienna University of Technology, Vienna, Austria.
Phys Rev Lett. 2003 Jul 18;91(3):037201. doi: 10.1103/PhysRevLett.91.037201. Epub 2003 Jul 14.
We show that the large negative magnetic contribution to the thermal expansion in disordered Fe-Pt alloys can be understood within the disordered local moment (DLM) approach. On the basis of first principles calculations we quantitatively describe the spontaneous volume magnetostriction for various Pt concentrations. It is found that the Invar effect in these alloys is entirely related to the state of thermal magnetic disorder modeled by the DLM states. We also show that the experimentally observed anomaly in the temperature dependence of the magnetization is due to a spontaneous reduction of the local magnetic moments rather than to "hidden excitations."
我们表明,无序铁铂合金中热膨胀的巨大负磁贡献可以在无序局域磁矩(DLM)方法中得到理解。基于第一性原理计算,我们定量描述了各种铂浓度下的自发体积磁致伸缩。发现这些合金中的因瓦效应完全与由DLM态建模的热磁无序状态有关。我们还表明,实验观察到的磁化强度温度依赖性异常是由于局域磁矩的自发减小,而不是由于“隐藏激发”。