Dynamical, Dielectric, And Elastic Properties Of Gete Investigated With First-principlesdensity Functional Theory

R. Shaltaf; E. Durgun; J.-Y. Raty; Ph. Ghosez; X. Gonze

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Dynamical, Dielectric, And Elastic Properties Of Gete Investigated With First-principlesdensity Functional Theory

机译：第一原理密度泛函理论研究格的动力学，介电和弹性性质

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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.

机译：使用第一性原理密度泛函理论研究了铁电材料GeTe在低温菱形面相中的动力学，介电和弹性特性。我们报告了电子能带，声子色散曲线，电子和低频介电张量，红外反射率，玻恩有效电荷以及弹性和压电张量，并将它们与现有的理论和实验结果以及可用的相似数量进行了比较适用于其他铁电材料。

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《Physical review》 |2008年第20期|223-229|共7页
作者
R. Shaltaf; E. Durgun; J.-Y. Raty; Ph. Ghosez; X. Gonze;
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正文语种 eng
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dielectric; piezoelectric; ferroelectric; and antiferroelectric materials; dielectric properties of solids and liquids; piezoelectricity and electromechanical effects;

机译：电介质压电铁电反铁电材料;固体和液体的介电性能;压电和机电效应;

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Dynamical, Dielectric, And Elastic Properties Of Gete Investigated With First-principlesdensity Functional Theory

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