2019/07/31 by Jyoti Krishna, Krishna, Jyoti, Mukesh C. Sharma +3
Materials Science · Physics and Astronomy · #Advanced Thermoelectric Materials and Devices #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Materials Science (cond-mat.mtrl-sci) #Physics of Superconductivity and Magnetism
paper · pdf · doi:10.48550/arxiv.1907.13446
openalex publication_date 2019/07/31 · openalex created_date 2019/08/13 · openalex updated_date 2026/07/28
In search of better thermoelectric materials, we have systematically investigated the thermoelectric properties of a 122 Zintl phase compound EuCd2As2 using ab-initio density functional theory and semi-classical Boltzmann transport theory within constant relaxation time approximation. Considering the ground state magnetic structure which is A-type antiferromagnetic (A-AFM) and non-magnetic (NM) structure, we evaluated various thermoelectric parameters such as Seebeck coefficient, electrical and thermal conductivity, power factor and figure of merit (ZT) as function temperature as well as chemical potential. Almost all thermoelectric parameters show anisotropy between xx and zz directions which is stronger in case of A-AFM than in NM. Both A-AFM and NM phase of the compound display better thermoelectric performance when hole doped. We observed high Seebeck coefficient and low electronic thermal conductivity in A-AFM phase along zz direction. The remarkably high ZT of 1.79 at 500 K in A-AFM phase and ZT∼1 in NM phase suggest that EuCd2As2 is a viable thermoelectric material when p-doped.