2021
DOI: 10.48550/arxiv.2105.04192
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First-principles predictions of Hall and drift mobilities in semiconductors

Samuel Ponce,
Francesco Macheda,
Elena Roxana Margine
et al.

Abstract: Carrier mobility is one of the defining properties of semiconductors. Significant progress on parameter-free calculations of carrier mobilities in real materials has been made during the past decade; however, the role of various approximations remains unclear and a unified methodology is lacking. Here, we present and analyse a comprehensive and efficient approach to compute the intrinsic, phonon-limited drift and Hall carrier mobilities of semiconductors, within the framework of the first-principles Boltzmann … Show more

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Cited by 1 publication
(3 citation statements)
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“…We also note that our calculations are for the drift mobility, while some of the experimental data [2,24,25] are for the Hall mobility. Recent benchmarks on standard semiconductors indicate that the calculated electron Hall mobility is typically lower than the drift mobility [55].…”
Section: G Screening Effect On Electron Transportmentioning
confidence: 98%
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“…We also note that our calculations are for the drift mobility, while some of the experimental data [2,24,25] are for the Hall mobility. Recent benchmarks on standard semiconductors indicate that the calculated electron Hall mobility is typically lower than the drift mobility [55].…”
Section: G Screening Effect On Electron Transportmentioning
confidence: 98%
“…Recent work highlighted the importance of dynamical quadrupoles in calculations of carrier mobilities [53,54]. In this work we do not include quadrupole corrections because ScN crystallizes in the F m 3m space group, hence quadrupole tensors vanish by symmetry (see for example the similar case of SrO in [55]).…”
Section: B Electron-phonon Matrix Elementsmentioning
confidence: 99%
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