Work

Dilute concentrations of Sb (Bi) dopants in Sn-site enhance the thermoelectric properties of TiNiSn half-Heusler alloys: a first-principles study

Year: 2020

Type: article

Abstract: We performed density functional theory based total energy calculations to study how dilute concentrations of Sb (Bi) dopants affect the electronic and thermoelectric (TE) properties of TiNiSn 1 − x A x ( A = Sb , Bi ; x = 0 − 0.125 ) . The Sb (Bi) dopants donate extra charge to TiNiSn, resulting in the appearance of electron pockets, increased (Hall) carrier concentration n H , and increased electric conductivity σ . We also found that with dilute concentrations of Sb(Bi), we could sustain the thermal conductivity κ to a value as low as possible. All these result in ca. 22% increase in the corresponding dimensionless figure-of-merit ZT . These indicate the potential efficacy of using Sb (Bi) as dopants to improve the TE property of TiNiSn half-Heusler alloys.

Source: Japanese Journal of Applied Physics

DOI: 10.35848/1347-4065/ab74c8

Authors: Meena Rittiruam, Allan Abraham B. Padama, Athorn Vora-ud, Anucha Yangthaisong, Tosawat Seetawan, Wilson Agerico Diño