Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory

Article

关键词: STRUCTURAL PHASE-TRANSITION;    BORN EFFECTIVE CHARGES;    ELECTRICAL-PROPERTIES;    BAND-STRUCTURE;    POLARIZATION;    CONSTANTS;   

DOI  :  10.1103/PhysRevB.78.205203

来源: SCIE

【 摘 要 】

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, infrared reflectivity, Born effective charges, and 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.

【 授权许可】

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