Simultaneously high electron and hole mobilities in cubic boron-V compounds: BP, BAs and BSb

Abstract

Through first-principles calculations, the phonon-limited transport properties of cubic boron-V compounds (BP, BAs and BSb) are studied. We find that the high optical phonon frequency in these compounds leads to the substantial suppression of polar scattering and the reduction of inter-valley transition mediated by large-wavevector optical phonons, both of which significantly facilitate charge transport. We also discover that BAs simultaneously has a high hole mobility (2110 cm2/V-s) and electron mobility (1400 cm2/V-s) at room temperature, which is rare in semiconductors. Our findings present a new insight in searching high mobility polar semiconductors, and point to BAs as a promising material for electronic and photovoltaic devices in addition to its predicted high thermal conductivity.

arXiv comment18 pages, 4 figures

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• The electronic band structure and optical properties of boron arsenide
• Large thermoelectric power factor of high-mobility 1T'' phase of transition-metal dichalcogenides
• Finite temperature optoelectronic properties of BAs from first principles
• First-principles analysis of intravalley and intervalley electron-phonon scattering in thermoelectric materials
• Effect of nucleation sites on the growth and quality of single-crystal boron arsenide
• Verification and Validation of zero-point electron-phonon renormalization of the bandgap, mass enhancement, and spectral functions
• Electronic noise of warm electrons in semiconductors from first-principles
• Invariant expansion of the 30-band k.p model and its parameters for III-V compounds
• Strong Temperature Dependence of Thermal Conductivity in High-Purity Cubic Boron Arsenide
• One-particle and excitonic band structure in cubic Boron Arsenide