First-principles study of thermoelectric properties of Mg₂Si-Mg₂Pb semiconductor materials.

ABSTRACT: Mg₂X^IV (X^IV = Si, Ge, Sn) compounds are semiconductors and their solid solutions are believed to be promising mid-temperature thermoelectric materials. By contrast, Mg₂Pb is a metal and few studies have been conducted to investigate the thermoelectric properties of Mg₂Si-Mg₂Pb solid solutions. Here, we present a theoretical study exploring whether Mg₂Pb-Mg₂Si solid solutions can be used as thermoelectric materials or not. We firstly constructed several Mg₂Si_1-x Pb _x (0 ≤ x ≤ 1) structures and calculated their electronic structures. It is suggested that Mg₂Si_1-x Pb _x are potential thermoelectric semicondu

SUBMITTER: Fan T 

PROVIDER: S-EPMC9080444 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature