Raman scattering in YBa2Cu3O7:: A comprehensive theoretical study in comparison with experiments -: art. no. 064501

被引：43

作者：

Ambrosch-Draxl, C ^{[1
]}

Auer, H

Kouba, R

Sherman, EY

Knoll, P

Mayer, M

机构：

[1] Karl Franzens Univ Graz, Inst Theoret Phys, A-8010 Graz, Austria

[2] Karl Franzens Univ Graz, Inst Expt Phys, A-8010 Graz, Austria

来源：

PHYSICAL REVIEW B | 2002年 / 65卷 / 06期

关键词：

D O I：

10.1103/PhysRevB.65.064501

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

All Raman-active phonon modes of YBa2Cu3O7 are investigated by first-principles linearized augmented plane-wave calculations based on density-functional theory for a fully optimized crystal structure. The calculated frequencies as well as the Raman scattering intensities are in excellent agreement with measured Raman spectra. The effect of site-selective isotope substitution on the Raman spectra is investigated. The substitution not only shifts the phonon frequencies, but also leads to dramatic chances in the scattering intensities.

引用

页码：1 / 9

页数：9

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