Dynamical, dielectric, and elastic properties of GeTe

Abstract

The dynamical, dielectric and elastic properties of GeTe, a ferroelectric material in its low temperature rhombohedral phase, have been investigated using first-principles density functional theory. We report the electronic energy bands, phonon dispersion curves, electronic and low frequency dielectric tensors, infra-red reflectivity, Born effective charges, elastic and piezoelectric tensors and compare them with the existing theoretical and experimental results, as well as with similar quantities available for other ferroelectric materials, when appropriate.

References in corpus (9)

• Phonons and related properties of extended systems from density-functional perturbation theory
• Separable Dual Space Gaussian Pseudo-potentials
• Relativistic separable dual-space Gaussian Pseudopotentials from H to Rn
• Systematic treatment of displacements, strains and electric fields in density-functional perturbation theory
• The physics of dynamical atomic charges: the case of ABO3 compounds
• Density-Polarization Functional Theory of the response of a periodic insulating solid to an electric field.
• Raman scattering study of the a-GeTe structure and possible mechanism for the amorphous-to-crystal transition
• Born Effective Charges of Barium Titanate: band by band decomposition and sensitivity to structural features
• Density Functional Theory of Polar Insulators

Cited by in corpus (9)

• A neural network interatomic potential for the phase change material GeTe
• Ferroelectricity and Rashba effect in GeTe
• Ferroelectric Rashba Semiconductors as a novel class of multifunctional materials
• Understanding amorphous phase-change materials from the viewpoint of Maxwell rigidity
• Ultrafast dephasing of coherent optical phonons in atomically controlled GeTe/Sb${}_2$Te${}_3$ superlattices
• Lattice Dynamics and Specific Heat of $\alpha$ - GeTe: a theoretical and experimental study
• Non-thermal transport of energy driven by photoexcited carriers in switchable solid states of GeTe
• Ultrafast modulation of covalency in GeTe driven by a ferroelectric soft mode
• Theory of ab initio downfolding with arbitrary range electron-phonon coupling