Route to high hole mobility in GaN via reversal of crystal-field splitting

Abstract

A fundamental obstacle toward the realization of GaN p-channel transistors is its low hole mobility. Here we investigate the intrinsic phonon-limited mobility of electrons and holes in wurtzite GaN using the ab initio Boltzmann transport formalism, including all electron-phonon scattering processes and many-body quasiparticle band structures. We predict that the hole mobility can be increased by reversing the sign of the crystal-field splitting, in such a way as to lift the split-off hole states above the light and heavy holes. We find that a 2% biaxial tensile strain can increase the hole mobility by 230%, up to a theoretical Hall mobility of 120 cm${}^2$/Vs at room temperature and 620 cm${}^2$/Vs at 100 K.

arXiv commentSubmitted to PRL on 3 Nov 2018. Update to cross-reference with arXiv:1908.02072

References in corpus (12)

• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Berry Phase Effects on Electronic Properties
• Electron-phonon interactions from first principles
• EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
• Yambo: an \textit{ab initio} tool for excited state calculations
• Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN
• Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors
• Ultrafast strain engineering in complex oxide heterostructures
• Hole mobility of strained GaN from first principles
• MBE-grown 232-270 nm Deep-UV LEDs using Monolayer thin Binary GaN/AlN quantum heterostructures
• Parametric amplification of optical phonons
• Strained GaN Quantum-Well FETs on Single Crystal Bulk AlN Substrates

Cited by in corpus (27)

• First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials
• Hole mobility of strained GaN from first principles
• First-principles predictions of Hall and drift mobilities in semiconductors
• Why Two-Dimensional Semiconductors Generally Have Low Electron Mobility
• Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN
• Structural, electronic, elastic, power and transport properties of $\beta$-Ga${}_2$O${}_3$ from first-principles
• Long-range electrostatic contribution to the electron-phonon couplings and mobilities of two-dimensional and bulk materials
• First-principles study of electron transport in ScN
• Ab initio dipolar electron-phonon interactions in two-dimensional materials
• Significant Phonon Drag Effect in Wide Bandgap GaN and AlN
• Large thermoelectric power factor of high-mobility 1T'' phase of transition-metal dichalcogenides
• High conductivity Polarization-induced 2D hole gases in Undoped GaN/AlN Heterojunctions enabled by Impurity Blocking Layers
• Strain-induced activation of chiral-phonon emission in monolayer WS${}_2$
• Ab initio analysis for initial process of Joule heating in semiconductors
• High-field transport and hot electron noise in GaAs from first principles: role of two-phonon scattering
• Phonon-assisted Auger-Meitner Recombination in Silicon from First Principles
• Phonon-limited carrier mobilities and Hall factors in 4H-SiC from first principles
• Cation-size mismatch as a predictive descriptor for structural distortion, configurational disorder, and valence-band splitting in II-IV-N${}_2$ semiconductors
• Transport and noise of hot electrons in GaAs using a semi-analytical model of two-phonon polar optical phonon scattering
• Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN${}_2$ and MgSiN${}_2$
• Isotope engineering of carrier mobility via Fröhlich electron-phonon interaction
• Electron-hole dichotomy and enhancement of thermoelectric power factor by electron-hole-asymmetric relaxation time: a model study on a two-valley system with strong intervalley scattering
• Tailoring light holes in $\beta$-$G{a}_2{O}_3$ via Anion-Anion Antibonding Coupling
• Grid-Free Evaluation of Phonon-Limited Electronic Relaxation Times and Transport Properties
• First-principles predictions of carrier mobility with record accuracy using GW perturbation theory
• Valley-dependent electron-phonon scattering in thermoelectric semimetal Ta${}_2$PdSe${}_6$
• Materials design principles towards high hole mobility learning from an abnormally low hole mobility of silicon