当前位置: X-MOL 学术Phys. B Condens. Matter › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Anharmonicity of the lattice properties of strongly correlated ferromagnet UGe2
Physica B: Condensed Matter ( IF 2.8 ) Pub Date : 2020-10-12 , DOI: 10.1016/j.physb.2020.412530
A.N. Filanovich , A.A. Povzner

Based on ab initio calculations of the ground state energy as a function of volume E(V) and thermodynamic model of the crystal lattice, we study the role of phonon anharmonicity in the formation of a complex of thermal and elastic properties of UGe2. In the framework of the developed model, an explanation is given for the first time of the experimentally observed abnormal growth of the bulk modulus of UGe2 as a function of temperature. The reassessment of the lattice anharmonicity parameters led to an indication of a significant contribution of optical phonons to the thermal expansion coefficient (CTE) of UGe2, which has not been considered previously. Taking this contribution into account leads to the conclusion that there is a negative non-lattice component of the CTE not only in the region of magnetic ordering but also above the Curie temperature, which indicates the effects of short-range magnetic order.



中文翻译:

强相关铁磁体UGe 2的晶格特性的非谐性

基于基态能量与体积EV)的函数的从头算计算以及晶格的热力学模型,我们研究了声子非谐性在UGe 2热和弹性性质复合物中的作用。在开发模型的框架中,首次给出了实验观察到的UGe 2体积模量随温度的异常增长的解释。晶格非谐性参数的重新评估表明,光子对UGe 2的热膨胀系数(CTE)有重要贡献,以前没有考虑过。考虑到这一贡献,得出的结论是,CTE不仅在磁有序区域而且在居里温度以上都具有负的非晶格成分,这表明了短程磁有序的影响。

更新日期:2020-11-04
down
wechat
bug