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Balancing structural distortions via competing 4f and itinerant interactions: a case of polymorphism in magnetocaloric HoCo2

机译:通过竞争性4f和巡回相互作用来平衡结构畸变:磁热HoCo2多态性的案例

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The nature of multiple magnetostructural transformations in HoCo2 has been studied by employing magnetic and specific heat measurements, temperature and magnetic field dependent X-ray powder diffraction, and first-principles calculations. Unexpected increase of magnetization observed below the spin-reorientation temperature (T-SR) suggests that the low-temperature transition involves a reduction of Co moment. First principles calculations confirm that the paramagnetic cubic to ferrimagnetic tetragonal transformation at T-C is assisted by itinerant electron metamagnetism, and that the reduction of Co moment in HoCo2 occurs in parallel with the ferrimagnetic tetragonal to the nearly ferromagnetic orthorhombic transformation at T-SR via the rearrangement of both 3d states of Co and 5d states of Ho. The ac magnetic susceptibility measurements show significant magnetic frustration below T-C. In contrast to earlier reports neither ac nor dc magnetic susceptibilities show anomalies in the paramagnetic region obeying the Curie-Weiss law.
机译:通过采用磁场和比热测量,温度和磁场相关的X射线粉末衍射以及第一性原理计算,研究了HoCo2中多种磁结构转变的性质。在自旋取向温度(T-SR)以下观察到的意外的磁化强度增加表明低温转变涉及Co矩的减小。第一性原理计算证实,TC的顺磁性立方到亚铁磁性四方相变是由流动电子顺磁性所辅助,并且通过重排,HoCo2中Co矩的减少与T-SR处的亚铁磁性四方相向近铁磁性正交相变同时发生。 Co的3d状态和Ho的5d状态。交流磁化率测量结果表明,低于T-C时,磁化强度明显下降。与早期的报告相反,交流和直流磁化率均未显示顺磁性区域遵循居里-魏斯定律的异常。

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