Anisotropic thermoelectric effect on phosphorene and bismuthene: first-principles calculations based on nonequilibrium Green’s function theory
Year: 2018
Type: article
Abstract: By using the nonequilibrium Green’s function (NEGF) method, we perform first-principles calculations for phosphorene and bismuthene and evaluate their thermoelectric properties on the basis of the Landauer formalism. We find that the figures of merit strongly depend on the transport direction: the figures for the zigzag (ZZ) direction are substantially different from those for the armchair direction. These anisotropies are found to originate from the difference between the transmission functions in the AM and ZZ directions. We find that p-type bismuthene has a large figure of merit when the transport is in the ZZ direction, then we conclude that bismuthene has some advantages over phosphorene as a thermoelectric material. We also clarify that the spin–orbit coupling has a substantial effect on the thermoelectric properties of bismuthene.
Authors: Yuto Tanaka, Mineo Saito, Fumiyuki Ishii
Institution: Kanazawa University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W2898216065