Lattice Thermal Conductivity of Mg₃(Bi,Sb)₂ Nanocomposites: A First-Principles Study.

ABSTRACT: Mg₃(Bi_xSb_1-x)₂ (0 ≤ x ≤ 1) nanocomposites are a highly appealing class of thermoelectric materials that hold great potential for solid-state cooling applications. Tuning of the lattice thermal conductivity is crucial for improving the thermoelectric properties of these materials. Hereby, we investigated the lattice thermal conductivity of Mg₃(Bi_xSb_1-x)₂ nanocomposites with varying Bi content (x = 0.0, 0.25, 0.5, 0.75, and 1.0) using first-principles calculations. This study reveals that the lattice thermal conductivity follows a classical inverse temperature-dependent relationship. There is a significant decrease in the lattice thermal conductivity when the Bi content increases from 0 to 0.25 or decreas

SUBMITTER: Peng Q 

PROVIDER: S-EPMC10675190 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature