Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory

Lischner, Johannes; Nemšák, Slavomír; Conti, Giuseppina; Gloskovskii, Andrei; Pálsson, Gunnar Karl; Schneider, Claus M.; Drube, Wolfgang; Louie, Steven G.; Fadley, Charles

doi:10.1063/1.4947594

Title: Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory

Authors:

Lischner, Johannes ^[1]; Nemšák, Slavomír ^[2]; Conti, Giuseppina ^[3]; Gloskovskii, Andrei ^[4]; Pálsson, Gunnar Karl ^[3];

^[5]; Drube, Wolfgang ^[4]; Louie, Steven G. ^[6]; Fadley, Charles ^[3]

Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Department of Physics and Department of Materials and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, United Kingdom
Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Department of Physics, University of California, Davis, California 95616, USA, Peter-Gruenberg-Institut-6, Forschungszentrum Juelich, Juelich, Germany
Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Department of Physics, University of California, Davis, California 95616, USA
Deutsches Elektronen-Synchrotron DESY, Photon Science, Notkestraße 85, D-22607 Hamburg, Germany
Peter-Gruenberg-Institut-6, Forschungszentrum Juelich, Juelich, Germany
Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Department of Physics, University of California, Berkeley, California 94720, USA

Publication Date:: Wed Apr 27 00:00:00 EDT 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1249893

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Name: Journal of Applied Physics Journal Volume: 119 Journal Issue: 16; Journal ID: ISSN 0021-8979

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Lischner, Johannes, Nemšák, Slavomír, Conti, Giuseppina, Gloskovskii, Andrei, Pálsson, Gunnar Karl, Schneider, Claus M., Drube, Wolfgang, Louie, Steven G., and Fadley, Charles. Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4947594.

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                    Lischner, Johannes, Nemšák, Slavomír, Conti, Giuseppina, Gloskovskii, Andrei, Pálsson, Gunnar Karl, Schneider, Claus M., Drube, Wolfgang, Louie, Steven G., & Fadley, Charles. Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory.  United States.  https://doi.org/10.1063/1.4947594

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                    Lischner, Johannes, Nemšák, Slavomír, Conti, Giuseppina, Gloskovskii, Andrei, Pálsson, Gunnar Karl, Schneider, Claus M., Drube, Wolfgang, Louie, Steven G., and Fadley, Charles. Wed .  
"Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory".  United States.  https://doi.org/10.1063/1.4947594.

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@article{osti_1249893,

  title        = {Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory},

  author       = {Lischner, Johannes and Nemšák, Slavomír and Conti, Giuseppina and Gloskovskii, Andrei and Pálsson, Gunnar Karl and Schneider, Claus M. and Drube, Wolfgang and Louie, Steven G. and Fadley, Charles},

  abstractNote = {},

  doi          = {10.1063/1.4947594},

  journal      = {Journal of Applied Physics},

  number       = 16,

  volume       = 119,

  place        = {United States},

  year         = {Wed Apr 27 00:00:00 EDT 2016},

  month        = {Wed Apr 27 00:00:00 EDT 2016}

}

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Title: Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory

Citation Formats

Coulomb-hole summations and energies for G W calculations with limited number of empty orbitals: A modified static remainder approach journal, April 2013

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Precise Determination of the Valence-Band Edge in X-Ray Photoemission Spectra: Application to Measurement of Semiconductor Interface Potentials journal, June 1980

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Hybridization and Bond-Orbital Components in Site-Specific X-Ray Photoelectron Spectra of Rutile T i O 2 journal, July 2002

Nature of the Band Gap of In 2 O 3 Revealed by First-Principles Calculations and X-Ray Spectroscopy journal, April 2008

Tin dioxide from first principles: Quasiparticle electronic states and optical properties journal, January 2011

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Design of solar cell materials via soft X-ray spectroscopy journal, October 2013

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Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies journal, October 1986

Band Gap and Electronic Structure of an Epitaxial, Semiconducting Cr 0.80 Al 0.20 Thin Film journal, December 2010

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

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Valence band offset of GaN/diamond heterojunction measured by X-ray photoelectron spectroscopy journal, July 2011

Recoil effects of photoelectrons in a solid journal, June 2007

Band offsets in complex-oxide thin films and heterostructures of SrTiO 3 /LaNiO 3 and SrTiO 3 /GdTiO 3 by soft and hard X-ray photoelectron spectroscopy journal, April 2013

Boron Doped diamond films as electron donors in photovoltaics: An X-ray absorption and hard X-ray photoemission study journal, October 2014

Transition from the adiabatic to the sudden limit in core-electron photoemission journal, December 1998

Experimental determination of valence band maxima for SrTiO[sub 3], TiO[sub 2], and SrO and the associated valence band offsets with Si(001) journal, January 2004

Semiconductor core-level to valence-band maximum binding-energy differences: Precise determination by x-ray photoelectron spectroscopy journal, August 1983

Double phase-retarder set-up at beamline P09 at PETRA III journal, March 2013

Energetic and Spatial Bonding Properties from Angular Distributions of Ultraviolet Photoelectrons: Application to the GaAs(110) Surface journal, December 1997

Polarization-dependent hard X-ray photoemission spectroscopy of solids journal, October 2013

X-ray photoelectron spectroscopy and diffraction in the hard X-ray regime: Fundamental considerations and future possibilities journal, July 2005

Coulomb-hole summations and energies for $G W$ calculations with limited number of empty orbitals: A modified static remainder approach
journal, April 2013

Electron affinity and work function of differently oriented and doped diamond surfaces determined by photoelectron spectroscopy
journal, November 1998

Precise Determination of the Valence-Band Edge in X-Ray Photoemission Spectra: Application to Measurement of Semiconductor Interface Potentials
journal, June 1980

Magnetometry of buried layers—Linear magnetic dichroism and spin detection in angular resolved hard X-ray photoelectron spectroscopy
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BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
journal, June 2012

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
journal, August 1965

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journal, September 1997

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journal, October 1986

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journal, October 2011

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journal, January 2004

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journal, August 1983

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journal, March 2013

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