Hole mobility of strained GaN from first principles
arXiv:1908.02072 · doi:10.1103/PhysRevB.100.085204
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 the A optical phonon through ultrafast infrared optical pulses.
arXiv comment17 pages and 11 figures
References in corpus (32)
- Phonons and related properties of extended systems from density-functional perturbation theory
- Advanced capabilities for materials modelling with Quantum ESPRESSO
- Berry Phase Effects on Electronic Properties
- Optimized norm-conserving Vanderbilt pseudopotentials
- Maximally localized Wannier functions: Theory and applications
- The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
- Electron-phonon interactions from first principles
- First-principles study of the phonon-limited mobility in n-type single-layer MoS2
- EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
- Yambo: an \textit{ab initio} tool for excited state calculations
- Quasiparticle Self-Consistent GW Theory
- Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation
- Spectral and Fermi surface properties from Wannier interpolation
- Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN
- Thermal properties of materials from ab-initio quasi-harmonic phonons
- Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors
- First-principles method for electron-phonon coupling and electron mobility: Applications to 2D materials
- Dislocation scattering in a two-dimensional electron gas
- Ab-initio Prediction of Conduction Band Spin Splitting in Zincblende Semiconductors
- Ab initio Electron Mobility and Polar Phonon Scattering in GaAs
- Ultrafast strain engineering in complex oxide heterostructures
- Ultrafast Hot Carrier Dynamics in GaN and its Impact on the Efficiency Droop
- MBE-grown 232-270 nm Deep-UV LEDs using Monolayer thin Binary GaN/AlN quantum heterostructures
- Route to high hole mobility in GaN via reversal of crystal-field splitting
- Parametric amplification of optical phonons
- Strained GaN Quantum-Well FETs on Single Crystal Bulk AlN Substrates
- Magnetotransport properties of a polarization-doped three-dimensional electron slab
- Magneto-transport phenomena in p-doped diamond from first principles
- Influence of Fröhlich polaron coupling on renormalized electron bands in polar semiconductors. Results for zincblende GaN
- Lattice dynamics and thermophysical properties of h.c.p. Os and Ru from the quasi-harmonic approximation
- Lattice polarization effects on the screened Coulomb interaction of the GW approximation
- PHASEGO: A toolkit for automatic calculation and plot of phase diagram
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