Polarization-based calculation of the dielectric tensor of polar crystals

Abstract

We present a novel method for the calculation of the static and electronic dielectric tensor of polar insulating crystals based on concepts from the modern theory of dielectric polarization. As an application, we present the first ab initio calculation of the dielectric constants in the wurtzite III-V nitrides AlN, GaN, and InN.

RevTeX 4 pages, no figures, numbering error corrected

Cited by in corpus (24)

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• Accurate calculation of polarization-related quantities in semiconductors
• Optical Properties of Excitons in ZnO-based Quantum Well Heterostructures
• Interrelation of structural and electronic properties of InGaN/GaN quantum dots using an eight-band k.p model
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• Polarization fields in nitride nanostructures: ten points to think about
• Anomalous relaxations and chemical trends at III-V nitride non-polar surfaces
• Strong-correlation effects in Born effective charges
• Piezoelectric properties of $\mathrm{G}{\mathrm{a}}_2{\mathrm{O}}_3$: a first-principle study
• Giant polarization charge density at lattice-matched GaN/ScN interfaces
• Coulomb scattering in nitride based self-assembled quantum-dot systems
• Polarization analysis and Density Functional Theory (DFT) simulations of the electric field in InN/GaN multiple quantum wells (MQWs)
• Ab initio Hartree-Fock Born effective charges of LiH, LiF, LiCl, NaF, and NaCl
• Carrier dynamics and coherent acoustic phonons in nitride heterostructures
• Controlling a three dimensional electron slab of graded Al${}_x$Ga${}_{1-x}$N
• Quadratic response theory for spin-orbit coupling in semiconductor heterostructures
• First principles calculation of polarization induced interfacial charges in GaN/AlN heterostructures
• Exact method of determination of the recombination mode from time resolved photoluminescence data
• Valley polarization generated in 3-dimensional group-IV monochalcogenids