Electronic Transport of Two-Dimensional Ultrawide Bandgap Material h-BeO

Abstract

Two-dimensional ultrawide bandgap materials, with bandgaps significantly wider than 3.4 eV, have compelling potential advantages in nano high-power semiconductor, deep-ultraviolet optoelectronics, and so on. Recently, two-dimensional layered h-BeO has been synthesized in the experiments. In the present work, the first-principles calculations predict that monolayer h-BeO has an indirect bandgap of 7.05 eV with the HSE functional. The ultrawide bandgap results from the two atomic electronegativity difference in the polar h-BeO. And the electronic transport properties are also systematically investigated by using the Boltzmann transport theory. The polar LO phonons of h-BeO can generate the macroscopic polarization field and strongly couple to electrons by the Frohlich interaction. Limited by the electron-phonon scattering, monolayer h-BeO has a high mobility of 473 cm^2/Vs at room temperature. Further studies indicate that the biaxial tensile strain can reduce the electronic effective mass and enhance the electron-phonon coupling strength. The suitable strain can promote the mobility to ~1000 cm^2/Vs at room temperature.

arXiv comment5 pages, 4 figures

References in corpus (13)

• Advanced capabilities for materials modelling with Quantum ESPRESSO
• EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
• Two and One-dimensional Honeycomb Structure of Boron Nitride
• Fröhlich electron-phonon vertex from first principles
• Interlayer excitons and Band Alignment in MoS${}_2$/hBN/WSe${}_2$ van der Waals Heterostructures
• Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations
• Simple Screened Hydrogen Model of Excitons in Two-Dimensional Materials
• Quasiparticle GW calculations for solids, molecules and 2D materials
• Piezoelectricity in monolayer hexagonal boron nitride
• Breakdown of optical phonons' splitting in two-dimensional materials
• Mermin-Wagner theorem, flexural modes, and degraded carrier mobility in 2D crystals with broken horizontal mirror (${\sigma }_{\mathrm{h}}$) symmetry
• Rutile GeO2: an ultrawide-band-gap semiconductor with ambipolar doping
• Controlled Electrochemical Intercalation of Graphene/h-BN van der Waals Heterostructures

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