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Title: Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron

Authors:
; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1427879
Grant/Contract Number:  
FG02-08ER46550
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 11; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Nery, Jean Paul, Allen, Philip B., Antonius, Gabriel, Reining, Lucia, Miglio, Anna, and Gonze, Xavier. Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.97.115145.
Nery, Jean Paul, Allen, Philip B., Antonius, Gabriel, Reining, Lucia, Miglio, Anna, & Gonze, Xavier. Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron. United States. doi:10.1103/PhysRevB.97.115145.
Nery, Jean Paul, Allen, Philip B., Antonius, Gabriel, Reining, Lucia, Miglio, Anna, and Gonze, Xavier. Thu . "Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron". United States. doi:10.1103/PhysRevB.97.115145.
@article{osti_1427879,
title = {Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron},
author = {Nery, Jean Paul and Allen, Philip B. and Antonius, Gabriel and Reining, Lucia and Miglio, Anna and Gonze, Xavier},
abstractNote = {},
doi = {10.1103/PhysRevB.97.115145},
journal = {Physical Review B},
number = 11,
volume = 97,
place = {United States},
year = {2018},
month = {3}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.97.115145

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Cited by: 4 works
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Works referenced in this record:

Electrons in lattice fields
journal, July 1954


Lattice polarization effects on the screened Coulomb interaction W of the G W approximation
journal, September 2017


Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the G W and related approximations
journal, June 2016


Observation of a two-dimensional liquid of Fröhlich polarons at the bare SrTiO3 surface
journal, October 2015

  • Chen, Chaoyu; Avila, José; Frantzeskakis, Emmanouil
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms9585

Effect of the Quantum Zero-Point Atomic Motion on the Optical and Electronic Properties of Diamond and Trans-Polyacetylene
journal, December 2011


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Photoemission Study of a Strongly Coupled Electron-Phonon System
journal, July 1999


All-coupling polaron optical response: Analytic approaches beyond the adiabatic approximation
journal, September 2016


Temperature Effects in the Band Structure of Topological Insulators
journal, November 2016


Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress
journal, April 2013


Many-Body Effects on the Zero-Point Renormalization of the Band Structure
journal, May 2014


Electron-Phonon Renormalization of the Direct Band Gap of Diamond
journal, December 2010


Electron-electron and electron-phonon correlation effects on the finite-temperature electronic and optical properties of zinc-blende GaN
journal, February 2014


Physical Origin of Satellites in Photoemission of Doped Graphene: An Ab Initio G W Plus Cumulant Study
journal, April 2013


Fröhlich polaron and bipolaron: recent developments
journal, May 2009


Description of quasiparticle and satellite properties via cumulant expansions of the retarded one-particle Green's function
journal, August 2016


Theory of the temperature dependence of the direct gap of germanium
journal, February 1981


Anomalous Temperature Dependence of the Band Gap in Black Phosphorus
journal, July 2016


Recent developments in the ABINIT software package
journal, August 2016


Electron-Phonon Coupling and its Evidence in the Photoemission Spectra of Lead
journal, October 2003


Temperature Dependence of the Energy Levels of Methylammonium Lead Iodide Perovskite from First-Principles
journal, November 2016

  • Saidi, Wissam A.; Poncé, Samuel; Monserrat, Bartomeu
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 24
  • DOI: 10.1021/acs.jpclett.6b02560

Band Structures of Plasmonic Polarons
journal, April 2015


Many-body perturbation theory approach to the electron-phonon interaction with density-functional theory as a starting point
journal, June 2015


Ab Initio Finite-Temperature Excitons
journal, September 2008


Enhanced electron–phonon coupling at metal surfaces
journal, December 2003


Optimized norm-conserving Vanderbilt pseudopotentials
journal, August 2013


Dispersion and line shape of plasmon satellites in one, two, and three dimensions
journal, June 2016


Zero point motion effect on the electronic properties of diamond, trans-polyacetylene and polyethylene
journal, September 2012


Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation
journal, December 2014


Phonon dispersion and zero-point renormalization of LiNbO 3 from density-functional perturbation theory
journal, September 2015


Multiple Plasmon Satellites in Na and Al Spectral Functions from Ab Initio Cumulant Expansion
journal, September 1996


Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs
journal, August 2015


ABINIT: First-principles approach to material and nanosystem properties
journal, December 2009


Phonon-dressed two-dimensional carriers on the ZnO surface
journal, October 2016


Theory of band warping and its effects on thermoelectronic transport properties
journal, April 2014


Fröhlich Electron-Phonon Vertex from First Principles
journal, October 2015


Role of Bulk and Surface Phonons in the Decay of Metal Surface States
journal, January 2002


Temperature Dependence of the Energy Gap in Monatomic Semiconductors
journal, June 1950


Interfacial mode coupling as the origin of the enhancement of Tc in FeSe films on SrTiO3
journal, November 2014

  • Lee, J. J.; Schmitt, F. T.; Moore, R. G.
  • Nature, Vol. 515, Issue 7526
  • DOI: 10.1038/nature13894

Phonon contribution to quasiparticle lifetimes in Cu measured by angle-resolved photoemission
journal, May 1995


Comparing electron-phonon coupling strength in diamond, silicon, and silicon carbide: First-principles study
journal, June 2014


Photoemission Studies of Copper and Silver: Experiment
journal, November 1964


Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure
journal, August 2015


Temperature Dependence of the Energy Gap in Semiconductors
journal, June 1951


Electron-phonon interactions from first principles
journal, February 2017


Many-Body Effects in Angle-Resolved Photoemission: Quasiparticle Energy and Lifetime of a Mo(110) Surface State
journal, September 1999


Multiple satellites in materials with complex plasmon spectra: From graphite to graphene
journal, February 2014


On correlation effects in electron spectroscopies and the GW approximation
journal, October 1999


Electron Spin Resonance of V 1 -Centers
journal, September 1955


Band Structures and Pseudopotential Form Factors for Fourteen Semiconductors of the Diamond and Zinc-blende Structures
journal, January 1966


The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
journal, May 2018


Precise effective masses from density functional perturbation theory
journal, May 2016


Properties of electron self-energies and their role in electron spectroscopies
journal, October 1991

  • Hedin, Lars
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 308, Issue 1-2
  • DOI: 10.1016/0168-9002(91)90619-2

Corrections to Migdal’s theorem for spectral functions: A cumulant treatment of the time-dependent Green’s function
journal, October 1994


Singularities in the X-Ray Spectra of Metals
journal, January 1970


Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
journal, February 1997


On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands
journal, July 2016


Dynamical effects in electron spectroscopy
journal, November 2015

  • Zhou, Jianqiang Sky; Kas, J. J.; Sponza, Lorenzo
  • The Journal of Chemical Physics, Vol. 143, Issue 18
  • DOI: 10.1063/1.4934965

The GW plus cumulant method and plasmonic polarons: application to the homogeneous electron gas*
journal, November 2016


Giant electron-phonon interactions in molecular crystals and the importance of nonquadratic coupling
journal, October 2015


Origin of the crossover from polarons to Fermi liquids in transition metal oxides
journal, June 2017

  • Verdi, Carla; Caruso, Fabio; Giustino, Feliciano
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15769

Temperature dependence of the electronic structure of semiconductors and insulators
journal, September 2015

  • Poncé, S.; Gillet, Y.; Laflamme Janssen, J.
  • The Journal of Chemical Physics, Vol. 143, Issue 10
  • DOI: 10.1063/1.4927081

Tunable Polaronic Conduction in Anatase TiO 2
journal, May 2013


Optical Conductivity of the Fröhlich Polaron
journal, December 2003


The electronic structure of V-centers
journal, January 1957


Cumulant expansion for phonon contributions to the electron spectral function
journal, November 2014


Theory of the temperature dependence of electronic band structures
journal, June 1976


Diagrammatic quantum Monte Carlo study of the Fröhlich polaron
journal, September 2000


Self-consistent cumulant expansion for the electron gas
journal, November 1997


Phonon-Broadened Optical Spectra: Urbach's Rule
journal, May 1966


Temperature-dependent excitonic effects in the optical properties of single-layer MoS 2
journal, April 2016

  • Molina-Sánchez, Alejandro; Palummo, Maurizia; Marini, Andrea
  • Physical Review B, Vol. 93, Issue 15
  • DOI: 10.1103/PhysRevB.93.155435

Influence of Fröhlich polaron coupling on renormalized electron bands in polar semiconductors: Results for zinc-blende GaN
journal, September 2016


Generalized Cumulant Expansion Method
journal, July 1962


Theoretical approaches to the temperature and zero-point motion effects on the electronic band structure
journal, November 2010


Electron–Phonon Interactions in an Insulator
journal, February 1975

  • Dunn, Dennis
  • Canadian Journal of Physics, Vol. 53, Issue 4
  • DOI: 10.1139/p75-042

Spectral properties of quasiparticles in silicon: A test of many-body theory
journal, December 2003


Valence Electron Photoemission Spectrum of Semiconductors: Ab Initio Description of Multiple Satellites
journal, October 2011


Cumulant expansion of the retarded one-electron Green function
journal, August 2014


Coexistence of Replica Bands and Superconductivity in FeSe Monolayer Films
journal, February 2017


Polaronic metal state at the LaAlO3/SrTiO3 interface
journal, January 2016

  • Cancellieri, C.; Mishchenko, A. S.; Aschauer, U.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms10386

Photoemission Properties of Simple Metals
journal, October 1970


Effects of Recoil on Shake-Up Spectra in Metals
journal, January 1980


Electron-Phonon Coupling and the Metallization of Solid Helium at Terapascal Pressures
journal, February 2014


Paramagnetic resonance absorption of a V center in LiF
journal, January 1958


Nonquasiparticle structure in the photoemission spectra from the Be(0001) surface and determination of the electron self energy
journal, January 2000