Phonon Spectra of YTiO3 and Y2Ti2O7: Ab Initio Calculations

被引：7

作者：

Chernyshev, V. A. ^{[1
]}

Petrov, V. P. ^{[1
]}

Nikiforov, A. E. ^{[1
]}

机构：

[1] Ural Fed Univ, Ekaterinburg 620002, Russia

来源：

OPTICS AND SPECTROSCOPY | 2014年 / 116卷 / 06期

关键词：

Phonon Mode; Phonon Spectrum; Density Functional Method; Plane Oxygen; Yttrium Atom;

D O I：

10.1134/S0030400X14060046

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Using the Hartree-Fock and density-functional methods, we have calculated the structure and the lattice dynamics of YTiO3. Frequencies of Raman and IR phonons of this crystal have been determined. The crystal structure and phonon spectrum of Y2Ti2O7 have been calculated.

引用

页码：864 / 867

页数：4

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