{ "id": "1902.10992", "version": "v1", "published": "2019-02-28T10:22:26.000Z", "updated": "2019-02-28T10:22:26.000Z", "title": "A comparative study of the thermoelectric performance of graphene-like BX (X= P, As, Sb) monolayers", "authors": [ "Z. Z. Zhou", "H. J. Liu", "D. D. Fan", "G. H. Cao" ], "categories": [ "cond-mat.mtrl-sci" ], "abstract": "The electronic and phonon transport properties of graphene-like boron phosphide (BP), boron arsenide (BAs), and boron antimonide (BSb) monolayers are investigated using first-principles calculations and Boltzmann theory. By considering both the phonon-phonon and electron-phonon scatterings, we demonstrate that the strong bond anharmonicity in the BAs and BSb monolayers can dramatically suppress the phonon relaxation time but hardly affects that of electrons. As a consequence, both systems exhibit comparable power factors with that of the BP monolayer but much lower lattice thermal conductivities. Accordingly, a maximum ZT values above 3.0 can be achieved in both BAs and BSb monolayers at optimized carrier concentrations. Interestingly, very similar p- and n-type thermoelectric performance is observed in the BSb monolayer along the armchair direction, which is of vital importance in the fabrication of thermoelectric modules with comparable efficiencies.", "revisions": [ { "version": "v1", "updated": "2019-02-28T10:22:26.000Z" } ], "analyses": { "keywords": [ "comparative study", "graphene-like bx", "bsb monolayer", "lower lattice thermal conductivities", "n-type thermoelectric performance" ], "note": { "typesetting": "TeX", "pages": 0, "language": "en", "license": "arXiv", "status": "editable" } } }