Electron-phonon renormalization in cuprate superconductors.
Electron-phonon renormalization in cuprate superconductors.
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DOI：
10.1103/physrevlett.98.067005
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发表时间：
2007-02
影响因子：
8.6
通讯作者：
Peihong Zhang;S. Louie;M. Cohen
中科院分区：
文献类型：
--
作者：
Peihong Zhang;S. Louie;M. Cohen
采用基于密度泛函理论的方法研究了模型铜酸盐体系 CaCuO2 中的电子声子 (e-ph) 重整化效应。虽然基于局部自旋密度近似 (LSDA) 的计算预测半呼吸 Cu-O 键拉伸模式的 e-ph 耦合效应可以忽略不计，但在 LSDA+U 计算中包含筛选的现场库仑相互作用 (U) 大大增强了该模式的 e-ph 耦合强度。另一方面，全呼吸模式的 e-ph 重整化效果要弱得多。
Electron-phonon (e-ph) renormalization effects in a model cuprate system CaCuO2 are studied by employing density functional theory based methods. Whereas calculations based on the local spin-density approximation (LSDA) predicts negligible e-ph coupling effects of the half-breathing Cu-O bond stretching mode, the inclusion of a screened on-site Coulomb interaction (U) in the LSDA+U calculations greatly enhances the e-ph coupling strength of this mode. The full-breathing mode, on the other hand, shows a much weaker e-ph renormalization effect.