Systematic investigation of magnetic, optical and transport properties of RTX (R = Rare earth, T = 3d/4d and X = p-block elements) for thermoelectric applications

Author:

Jamil A.1,Muhammad Nawaz1,Murtaza G.1ORCID,Asif Muhammad2

Affiliation:

1. Centre for Advanced Studies in Physics (CASP), GC University, Lahore 54000, Pakistan

2. Department of Physics, COMSATS University Islamabad, Lahore Campus, Lahore 54000, Punjab, Pakistan

Abstract

The half-Heusler compounds have been extensively studied because of their exceptional transport properties. We have explored rare earth (RE)-based half-Heusler bismuthides compounds, [Formula: see text]PdBi ([Formula: see text][Formula: see text]=[Formula: see text]Gd, Dy and Ho) with the cubic crystal structure. Structural, magnetic, optical and transport properties are investigated using PBE-GG approximations by solving exchange-correlation potential. Electronic properties including spin-polarized band structure and density of states verified that semimetals with half-filled [Formula: see text]-orbitals across the Fermi-level are useful for thermoelectric applications. Magnetic properties reveal that values of the total spin magnetic moment are in close agreement with the experimental data. Optical properties with spin–orbit coupling (SOC) have a higher absorption coefficient and comparatively lesser energy loss which shows that studied materials are appropriate for optoelectronic devices. Moreover, transport properties including electrical and thermal conductivities, Seebeck coefficient, specific heat, power factor and figure of merit have been discussed in detail. The consistency of our results with the literature reveals that SOC plays a vital role in the transport properties of the materials.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3