Electron-Phonon beyond Frohlich: Dynamical Quadrupoles in Polar and Covalent Solids

被引：66

作者：

Brunin, Guillaume ^{[1
]}

Coutada Miranda, Henrique Pereira ^{[1
]}

Giantomassi, Matteo ^{[1
]}

Royo, Miquel ^{[2
]}

Stengel, Massimiliano ^{[2
,3
]}

Verstraete, Matthieu J. ^{[4
,5
]}

Gonze, Xavier ^{[1
,6
]}

Rignanese, Gian-Marco ^{[1
]}

Hautier, Geoffroy ^{[1
]}

机构：

[1] UCLouvain, Inst Condensed Matter & Nanosci IMCN, Chemin Etoiles 8, B-1348 Louvain La Neuve, Belgium

[2] CSIC, Inst Ciencia Mat Barcelona ICMAB, Campus UAB, Bellaterra 08193, Spain

[3] ICREA Inst Catalana Recerca & Estudis Avancats, Barcelona 08010, Spain

[4] Univ Liege, NanoMat Q Mat CESAM, B5, B-4000 Liege, Belgium

[5] Catalan Inst Nanosci & Nanotechnol ICN2, Campus UAB, Bellaterra 08193, Spain

[6] Skolkovo Innovat Ctr, Skolkovo Inst Sci & Technol, Nobel St 3, Moscow 143026, Russia

来源：

PHYSICAL REVIEW LETTERS | 2020年 / 125卷 / 13期

基金：

欧洲研究理事会;

关键词：

34;

D O I：

10.1103/PhysRevLett.125.136601

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We include the treatment of quadrupolar fields beyond the Frohlich interaction in the first-principles electron-phonon vertex in semiconductors. Such quadrupolar fields induce long-range interactions that have to be taken into account for accurate physical results. We apply our formalism to Si (nonpolar), GaAs, and GaP (polar) and demonstrate that electron mobilities show large errors if dynamical quadrupoles are not properly treated.

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页数：6

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