Giant magneto-optical Kerr effect and thermoelectric properties in CeBiPt half-Heusler by DFT

IF 1.8 4区物理与天体物理 Q3 PHYSICS, APPLIED

Modern Physics Letters B Pub Date : 2023-11-03 DOI:10.1142/s0217984923502536

Elmira Sartipi, Seyed Mohammad Elahi, Mohammad Reza Hantehzadeh, Arash Boochani, Mahmood Ghoranneviss

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Abstract

The mechanical, electronic, magneto-optic and thermoelectric properties of CeBiPt compound have been calculated based on density functional theory (DFT) calculations. This compound has ground state point in the ferromagnetic phase with elastic stability by large bulk modulus of 88.565[Formula: see text]GPa. Poisson’s coefficient of 0.257 represents the ionic bonds between atoms, while the anisotropy coefficient indicates the elastic isotropic nature of this compound. Also, phonon dispersion emphasizes to the dynamic stability of this compound. By the mBJ approximation, this case exhibits ferromagnetic behavior with a magnetic moment of 0.98[Formula: see text][Formula: see text]. Based on the magnetic behavior of this crystal, the Kerr effect angles ([Formula: see text]) are 3.6 ∘ at 3[Formula: see text]eV and [Formula: see text] at 5.4[Formula: see text]eV, respectively, therefore, the rotation angle of the ellipse light polarization ([Formula: see text]) in the edge of ultraviolet region shows a large polarization of light in the visible region. The negative Seebeck coefficient of CeBiPt compound at low temperature refers to the hole transfer, also the magnitude of the power factor at higher temperatures indicates this compound is suitable for use in power generator applications.

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用DFT研究CeBiPt半heusler材料的巨磁光Kerr效应和热电性质

基于密度泛函理论(DFT)计算了CeBiPt化合物的机械、电子、磁光和热电性能。该化合物在铁磁相中具有基态点，具有较大的体积模量为88.565的弹性稳定性[公式:见文]GPa。泊松系数为0.257表示原子间的离子键，各向异性系数表示该化合物的弹性各向同性。声子色散也强调了该化合物的动态稳定性。根据mBJ近似，这种情况表现出磁矩为0.98的铁磁行为[公式:见文本]。根据该晶体的磁性，克尔效应角([公式:见文])分别为3.6°(3[公式:见文]eV和[公式:见文]5.4[公式:见文]eV，因此，椭圆光偏振([公式:见文])在紫外区边缘的旋转角显示出可见光区的大偏振。CeBiPt化合物在低温下的负塞贝克系数是指空穴转移，而在较高温度下功率因数的大小表明该化合物适合用于发电机应用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Modern Physics Letters B 物理-物理：凝聚态物理

CiteScore

3.70

自引率

10.50%

发文量

235

审稿时长

5.9 months

期刊介绍： MPLB opens a channel for the fast circulation of important and useful research findings in Condensed Matter Physics, Statistical Physics, as well as Atomic, Molecular and Optical Physics. A strong emphasis is placed on topics of current interest, such as cold atoms and molecules, new topological materials and phases, and novel low-dimensional materials. The journal also contains a Brief Reviews section with the purpose of publishing short reports on the latest experimental findings and urgent new theoretical developments.