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High-field charge transport and noise in p-Si from first principles

Catherall, David S. and Minnich, Austin J. (2023) High-field charge transport and noise in p-Si from first principles. Physical Review B, 107 (3). Art. No. 035201. ISSN 2469-9950. doi:10.1103/physrevb.107.035201.

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The parameter-free computation of charge transport properties of semiconductors is now routine owing to advances in the ab initio description of the electron-phonon interaction. Many studies focus on the low-field regime in which the carrier temperature equals the lattice temperature and the current power spectral density (PSD) is proportional to the mobility. The calculation of high-field transport and noise properties offers a stricter test of the theory as these relations no longer hold, yet few such calculations have been reported. Here, we compute the high-field mobility and PSD of hot holes in silicon from first principles at temperatures of 77 and 300 K and electric fields up to 20 kV cm⁻¹ along various crystallographic axes. We find that the calculations quantitatively reproduce experimental trends including the anisotropy and electric-field dependence of hole mobility and PSD. The experimentally observed rapid variation of energy relaxation time with electric field at cryogenic temperatures is also correctly predicted. However, as in low-field studies, absolute quantitative agreement is, in general, lacking, a discrepancy that has been attributed to inaccuracies in the calculated valence-band structure. Our paper highlights the use of high-field transport and noise properties as a rigorous test of the theory of electron-phonon interactions in semiconductors.

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Catherall, David S.0000-0002-3540-2419
Minnich, Austin J.0000-0002-9671-9540
Additional Information:This work was supported by the National Science Foundation under Award No. 1911926. We thank A. Choi, B. Hatanpää, P. Cheng, S-N. Sun, and J. Sun for code development and discussions.
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Issue or Number:3
Record Number:CaltechAUTHORS:20230203-893210800.7
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:119006
Deposited By: Research Services Depository
Deposited On:24 Feb 2023 20:23
Last Modified:24 Feb 2023 20:23

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