Hole mobility of strained GaN from first principles

Poncé, Samuel;Jena, Debdeep;Giustino, Feliciano
(2019) Physical Review B — Vol. 100, n° 8, p. 85204 (2019)

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  • Poncé, Samuelorcid-logoUCLouvain
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  • Jena, DebdeepSchool of Electrical and Computer Engineering, Cornell University, Ithaca, New York 14853, USA
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  • Giustino, FelicianoDepartment of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom
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Abstract
Nitride semiconductors are ubiquitous in optoelectronic devices such as LEDs and Blu-Ray optical disks. A major limitation for further adoption of GaN in power electronics is its low hole mobility. In order to address this challenge, here we investigate the phonon-limited mobility of wurtzite GaN using the ab initio Boltzmann transport formalism, including all electron-phonon scattering processes, spin-orbit coupling, and many-body quasiparticle band structures. We demonstrate that the mobility is dominated by acoustic deformation-potential scattering, and we predict that the hole mobility can significantly be increased by lifting the split-off hole states above the light and heavy holes. This can be achieved by reversing the sign of the crystal-field splitting via strain or via coherent excitation of the A1 optical phonon through ultrafast infrared optical pulses.
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Poncé, S., Jena, D., & Giustino, F. (2019). Hole mobility of strained GaN from first principles. Physical Review B, 100(8), 85204. https://doi.org/10.1103/physrevb.100.085204 (Original work published 2019)