用化学和物理方法调整铁氢合金的电子和磁性能

IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY
Pramana Pub Date : 2023-06-20 DOI:10.1007/s12043-023-02567-4
R Greeshma, Rudra Banerjee
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引用次数: 0

摘要

采用从头算方法研究了有序和无序铁氢合金的电子、磁性和热力学性质。在有序相和无序相中均报道了等原子的Fe \(_{50}\) Rh \(_{50}\)组成。报道了化学无序的Fe \(_{x}\) Rh \(_{100-x}\),并讨论了无序对电子和磁性能的影响。此外,我们还报道了应力和应变对有序相和无序相的影响。结果仅针对立方相,没有考虑畸变。这项研究的动机是最近FeRh的复苏,并受到在周期内维持气压特性的可能性这一事实的启发。因此,我们同时讨论了Fe \(_{x}\) Rh \(_{100-x}\)在化学无序和压力下的性质,以深入了解它们之间的复合效应和相互作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Tuning electronic and magnetic properties of FeRh alloy by chemical and physical methods

The electronic, magnetic and thermodynamic properties of ordered and chemically disordered FeRh alloy are studied using ab-initio methods. The equiatomic Fe\(_{50}\)Rh\(_{50}\) composition is reported for both ordered and disordered phases. Chemically disordered Fe\(_{x}\)Rh\(_{100-x}\) is reported and the effect of disorder on electronic and magnetic properties is discussed. Further, we have reported the effects of stress and strain in both the ordered and disordered phases. The result is only for the cubic phase, and no distortion has been taken into consideration. This study is motivated by the recent resurgence in the FeRh and is inspired by the fact that it is possible to sustain the barocaloric properties over the cycle. Hence, we have discussed the properties of Fe\(_{x}\)Rh\(_{100-x}\) with chemical disorder and pressure simultaneously to gain an insight into the compound effect and the interplay between them.

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来源期刊
Pramana
Pramana 物理-物理:综合
CiteScore
3.60
自引率
7.10%
发文量
206
审稿时长
3 months
期刊介绍: Pramana - Journal of Physics is a monthly research journal in English published by the Indian Academy of Sciences in collaboration with Indian National Science Academy and Indian Physics Association. The journal publishes refereed papers covering current research in Physics, both original contributions - research papers, brief reports or rapid communications - and invited reviews. Pramana also publishes special issues devoted to advances in specific areas of Physics and proceedings of select high quality conferences.
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