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Ab initio velocity-field curves in monoclinic β-Ga2O3

Ghosh, Krishnendu ; Singisetti, Uttam

Journal of applied physics, 2017-07, Vol.122 (3) [Periódico revisado por pares]

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Título:
Ab initio velocity-field curves in monoclinic β-Ga2O3
Autor: Ghosh, Krishnendu ; Singisetti, Uttam
É parte de: Journal of applied physics, 2017-07, Vol.122 (3)
Descrição: We investigate the high-field transport in monoclinic β-Ga2O3 using a combination of ab initio calculations and full band Monte Carlo (FBMC) simulation. Scattering rate calculation and the final state selection in the FBMC simulation use complete wave-vector (both electron and phonon) and crystal direction dependent electron phonon interaction (EPI) elements. We propose and implement a semi-coarse version of the Wannier-Fourier interpolation method [Giustino et al., Phys. Rev. B 76, 165108 (2007)] for short-range non-polar optical phonon (EPI) elements in order to ease the computational requirement in FBMC simulation. During the interpolation of the EPI, the inverse Fourier sum over the real-space electronic grids is done on a coarse mesh while the unitary rotations are done on a fine mesh. This paper reports the high field transport in monoclinic β-Ga2O3 with deep insight into the contribution of electron-phonon interactions and velocity-field characteristics for electric fields ranging up to 450 kV/cm in different crystal directions. A peak velocity of 2 × 107 cm/s is estimated at an electric field of 200 kV/cm.
Idioma: Inglês

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