Many-Body Correlation Effects in Fröhlich Electron-Phonon Coupling
學年 115
學期 1
出版（發表）日期 2026-09-30
作品名稱 Many-Body Correlation Effects in Fröhlich Electron-Phonon Coupling
作品名稱（其他語言）
著者 Zien Zhu; Chih-En Hsu; Benran Zhang; Zhenfa Zheng; Mauro Del Ben; Antonios M. Alvertis; Hung-Chung Hsueh(薛宏中); Zhenglu Li
單位
出版者
著錄名稱、卷期、頁數 Physical Review Letters 137, p.146401
摘要 In compound semiconductors and insulators, the polar electron-phonon coupling diverges at long range, known as the Fröhlich interaction. Modern first-principles electron-phonon calculations treat the Fröhlich interaction in a semiclassical electrostatic formalism based on density-functional perturbation theory. Here, using many-body GW perturbation theory, we reveal important electron correlation effects in the Fröhlich￾type electron-phonon coupling, which are missed by the prevailing approaches and rooted in the fundamentally distinct behavior between quasiparticle self-energy and semilocal exchange-correlation functionals in the long-range limit. Going beyond the electrostatic treatment, we derive and implement the GW self-energy contribution to the long-range polar electron-phonon coupling, and demonstrate its critical role and nontrivial behaviors in properties such as electron linewidth and polaron formation in several prototype semiconductors. Remarkably, calculations on photoemission kink in electron-doped TiO2 achieve excellent agreement with experiment. Our work establishes the many-body generalization of the Fröhlich interaction that is essential for accurate electron-phonon calculations at the full GW level combined with Wannier interpolation techniques.
關鍵字
語言 en_US
ISSN 1079-7114
期刊性質 國外
收錄於 SCI
產學合作
通訊作者 Zhenglu Li
審稿制度 否
國別 USA
公開徵稿
出版型式 ,電子版,紙本
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