Lattice polarization effects on the screened Coulomb interaction $W$ of the $GW$ approximation
Abstract
In polar insulators where longitudinal and transverse optical phonon modes differ substantially, the electronphonon coupling affects the energyband structure primarily through the longrange Fröhlich contribution to the Fan term. This diagram has the same structure as the GW selfenergy where W originates from the electron part of the screened Coulomb interaction. The two can be conveniently combined by combining electron and lattice contributions to the polarizability. Both contributions are nonanalytic at the origin, and diverge as 1/q^{2} so that the predominant contribution comes from a small region around q=0. In this work, we adopt a simple estimate forthe Fröhlich contribution by assuming that the entire phonon part can be attributed to a small volume of q near q=0. We estimate the magnitude for q→0 from a generalized LyddaneSachsTeller relation, and the radiusfrom the inverse of the polaron length scale. The gap correction is shown to agree with Fröhlich’s simple estimate α_{P}ω_{LO}/2 of the polaron effect with α_{P} the polaron coupling factor.
 Authors:

 Case Western Reserve Univ., Cleveland, OH (United States)
 Univ. of Missouri, Columbia, MO (United States)
 King's College London (United Kingdom)
 Publication Date:
 Research Org.:
 Case Western Reserve Univ., Cleveland, OH (United States)
 Sponsoring Org.:
 USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC22)
 OSTI Identifier:
 1591868
 Alternate Identifier(s):
 OSTI ID: 1392716
 Grant/Contract Number:
 SC0008933
 Resource Type:
 Accepted Manuscript
 Journal Name:
 Physical Review Materials
 Additional Journal Information:
 Journal Volume: 1; Journal Issue: 4; Journal ID: ISSN 24759953
 Publisher:
 American Physical Society (APS)
 Country of Publication:
 United States
 Language:
 English
 Subject:
 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Lambrecht, Walter R. L., Bhandari, Churna, and van Schilfgaarde, Mark. Lattice polarization effects on the screened Coulomb interaction W of the GW approximation. United States: N. p., 2017.
Web. doi:10.1103/PhysRevMaterials.1.043802.
Lambrecht, Walter R. L., Bhandari, Churna, & van Schilfgaarde, Mark. Lattice polarization effects on the screened Coulomb interaction W of the GW approximation. United States. doi:10.1103/PhysRevMaterials.1.043802.
Lambrecht, Walter R. L., Bhandari, Churna, and van Schilfgaarde, Mark. Tue .
"Lattice polarization effects on the screened Coulomb interaction W of the GW approximation". United States. doi:10.1103/PhysRevMaterials.1.043802. https://www.osti.gov/servlets/purl/1591868.
@article{osti_1591868,
title = {Lattice polarization effects on the screened Coulomb interaction W of the GW approximation},
author = {Lambrecht, Walter R. L. and Bhandari, Churna and van Schilfgaarde, Mark},
abstractNote = {In polar insulators where longitudinal and transverse optical phonon modes differ substantially, the electronphonon coupling affects the energyband structure primarily through the longrange Fröhlich contribution to the Fan term. This diagram has the same structure as the GW selfenergy where W originates from the electron part of the screened Coulomb interaction. The two can be conveniently combined by combining electron and lattice contributions to the polarizability. Both contributions are nonanalytic at the origin, and diverge as 1/q2 so that the predominant contribution comes from a small region around q=0. In this work, we adopt a simple estimate forthe Fröhlich contribution by assuming that the entire phonon part can be attributed to a small volume of q near q=0. We estimate the magnitude for q→0 from a generalized LyddaneSachsTeller relation, and the radiusfrom the inverse of the polaron length scale. The gap correction is shown to agree with Fröhlich’s simple estimate αPωLO/2 of the polaron effect with αP the polaron coupling factor.},
doi = {10.1103/PhysRevMaterials.1.043802},
journal = {Physical Review Materials},
number = 4,
volume = 1,
place = {United States},
year = {2017},
month = {9}
}
Web of Science
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