Magnetotransport phenomena in p -doped diamond from first principles

Francesco Macheda; Nicola Bonini

doi:10.1103/PhysRevB.98.201201

Magnetotransport phenomena in p -doped diamond from first principles

Francesco Macheda, Nicola Bonini

King's College London

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Abstract

We present a first-principles study of the magnetotransport phenomena in p-doped diamond via the exact solution of the linearized Boltzmann transport equation, in which the materials' parameters, including electron-phonon and phonon-phonon interactions, are obtained from density functional theory. This approach gives results in very good agreement with a wide range of experimental data for Hall and drift mobilities, magnetoresistance, and Seebeck coefficient, including the phonon drag effect, at different temperatures and carrier concentrations. In particular, our results provide a detailed understanding of the inherent limits of the exceptionally high mobility and Seebeck coefficient, and predict a large magnetic-field-driven enhancement of the Seebeck coefficient, of up to 25% in a magnetic field of 50 kOe already at room temperature.

Original language	English
Article number	201201
Pages (from-to)	1-5
Journal	Physical Review B
Volume	98
Issue number	20
Early online date	15 Nov 2018
DOIs	https://doi.org/10.1103/PhysRevB.98.201201
Publication status	Published - 15 Nov 2018

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Magneto-transport phenomena in_MACHEDA_Acc16Oct2018_GREEN AAMAccepted author manuscript, 327 KB

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abstract = "We present a first-principles study of the magnetotransport phenomena in p-doped diamond via the exact solution of the linearized Boltzmann transport equation, in which the materials' parameters, including electron-phonon and phonon-phonon interactions, are obtained from density functional theory. This approach gives results in very good agreement with a wide range of experimental data for Hall and drift mobilities, magnetoresistance, and Seebeck coefficient, including the phonon drag effect, at different temperatures and carrier concentrations. In particular, our results provide a detailed understanding of the inherent limits of the exceptionally high mobility and Seebeck coefficient, and predict a large magnetic-field-driven enhancement of the Seebeck coefficient, of up to 25% in a magnetic field of 50 kOe already at room temperature.",

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AB - We present a first-principles study of the magnetotransport phenomena in p-doped diamond via the exact solution of the linearized Boltzmann transport equation, in which the materials' parameters, including electron-phonon and phonon-phonon interactions, are obtained from density functional theory. This approach gives results in very good agreement with a wide range of experimental data for Hall and drift mobilities, magnetoresistance, and Seebeck coefficient, including the phonon drag effect, at different temperatures and carrier concentrations. In particular, our results provide a detailed understanding of the inherent limits of the exceptionally high mobility and Seebeck coefficient, and predict a large magnetic-field-driven enhancement of the Seebeck coefficient, of up to 25% in a magnetic field of 50 kOe already at room temperature.

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Magnetotransport phenomena in p -doped diamond from first principles

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