Tailoring phononic, electronic, and thermoelectric properties of orthorhombic GeSe through hydrostatic pressure.

ABSTRACT: In this paper, we systematically investigate the effect of hydrostatic pressure on the phononic and electronic transport properties of orthorhombic p-type GeSe using first-principles based Boltzmann transport equation approach. It is found that the lattice thermal conductivities along the a and c directions increase with pressure, whereas it experiences a decrease along the b direction. This anomalous pressure dependent lattice thermal conductivity is attributed to the combined effect of enhanced phonon group velocity and reduced phonon lifetime. Additionally, the optical phonon branches have remarkable contributions to the total lattice thermal conductivity. The electronic transport calculations indicate that the Seebeck coefficient undergoes a sign change from p-type to n-type along the

SUBMITTER: Yuan K 

PROVIDER: S-EPMC6603015 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature