Bethe-Salpeter equation approach with electron-phonon coupling for exciton binding energies

被引:14
作者
Adamska, Lyudmyla [1 ]
Umari, Paolo [1 ,2 ]
机构
[1] Univ Padua, Dipartimento Fis & Astron, Via Marzolo 8, I-35131 Padua, Italy
[2] CNR, CNR IOM DEMOCRITOS, Ist Officina Mat, I-34136 Trieste, Italy
关键词
Copper oxides - Electron-phonon interactions - II-VI semiconductors - Perturbation techniques - Computation theory - Density functional theory - Zinc sulfide - Binding energy;
D O I
10.1103/PhysRevB.103.075201
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We introduce a simple scheme in order to account for the coupling with longitudinal phonons within the first-principles Bethe-Salpeter approach based on many-body perturbation theory. This allows one to evaluate the reduction of exciton binding energies observed in polar semiconductors. The electron-phonon coupling is modeled from the macroscopic dielectric response in the infrared which, in turn, is calculated through density functional perturbation theory. In this way, the additional computational cost determined by our method is negligible. We first illustrate our approach in the case of bulk ZnS. Then, we discuss the limit of the Bethe-Salpeter equation in the case of strongly delocalized excitons and we show how the excitonic series of bulk Cu2O is well reproduced.
引用
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页数:10
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