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Title: Band Alignment and the Built-in Potential of Solids

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Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
SC0002623; AC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Name: Physical Review Letters Journal Volume: 121 Journal Issue: 19; Journal ID: ISSN 0031-9007
American Physical Society
Country of Publication:
United States

Citation Formats

Choe, Duk-Hyun, West, Damien, and Zhang, Shengbai. Band Alignment and the Built-in Potential of Solids. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.121.196802.
Choe, Duk-Hyun, West, Damien, & Zhang, Shengbai. Band Alignment and the Built-in Potential of Solids. United States. doi:10.1103/PhysRevLett.121.196802.
Choe, Duk-Hyun, West, Damien, and Zhang, Shengbai. Fri . "Band Alignment and the Built-in Potential of Solids". United States. doi:10.1103/PhysRevLett.121.196802.
title = {Band Alignment and the Built-in Potential of Solids},
author = {Choe, Duk-Hyun and West, Damien and Zhang, Shengbai},
abstractNote = {},
doi = {10.1103/PhysRevLett.121.196802},
journal = {Physical Review Letters},
issn = {0031-9007},
number = 19,
volume = 121,
place = {United States},
year = {2018},
month = {11}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevLett.121.196802

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Cited by: 2 works
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Works referenced in this record:

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

A phenomenological model for systematization and prediction of doping limits in II–VI and I–III–VI2 compounds
journal, March 1998

  • Zhang, S. B.; Wei, Su-Huai; Zunger, Alex
  • Journal of Applied Physics, Vol. 83, Issue 6
  • DOI: 10.1063/1.367120

The birth of topological insulators
journal, March 2010

Projector augmented-wave method
journal, December 1994

Interface potential changes and Schottky barriers
journal, September 1985

Zur Halbleitertheorie der Sperrschicht- und Spitzengleichrichter
journal, May 1939

Oxide Interfaces--An Opportunity for Electronics
journal, March 2010

Comparison of dipole layers, band offsets, and formation enthalpies of GaAs-AlAs(110) and (001) interfaces
journal, November 1987

Chemical Bonding and Fermi Level Pinning at Metal-Semiconductor Interfaces
journal, June 2000

Van der Waals heterostructures
journal, July 2013

  • Geim, A. K.; Grigorieva, I. V.
  • Nature, Vol. 499, Issue 7459, p. 419-425
  • DOI: 10.1038/nature12385

Heterojunction band offset engineering
journal, January 1996

Optimizing Charge Injection across Transition Metal Dichalcogenide Heterojunctions: Theory and Experiment
journal, March 2017

Colloquium: Topological insulators
journal, November 2010

More Is Different
journal, August 1972

Electron Energetics at Surfaces and Interfaces: Concepts and Experiments
journal, February 2003

Theoretical study of band offsets at semiconductor interfaces
journal, May 1987

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion
journal, October 1991

Role of d orbitals in valence-band offsets of common-anion semiconductors
journal, July 1987

Deformation Potentials and Mobilities in Non-Polar Crystals
journal, October 1950

First-principles calculations for point defects in solids
journal, March 2014

  • Freysoldt, Christoph; Grabowski, Blazej; Hickel, Tilmann
  • Reviews of Modern Physics, Vol. 86, Issue 1
  • DOI: 10.1103/RevModPhys.86.253

Band Offsets in Lattice-Matched Heterojunctions: A Model and First-Principles Calculations for GaAs/AlAs
journal, August 1988

  • Baldereschi, Alfonso; Baroni, Stefano; Resta, Raffaele
  • Physical Review Letters, Vol. 61, Issue 6
  • DOI: 10.1103/PhysRevLett.61.734

‘‘Absolute’’ deformation potentials: Formulation and ab initio calculations for semiconductors
journal, April 1989

Nobel Lecture: Quasielectric fields and band offsets: teaching electrons new tricks
journal, October 2001

Emergent phenomena at oxide interfaces
journal, January 2012

  • Hwang, H. Y.; Iwasa, Y.; Kawasaki, M.
  • Nature Materials, Vol. 11, Issue 2
  • DOI: 10.1038/nmat3223

2D materials and van der Waals heterostructures
journal, July 2016

Formation of an electric dipole at metal-semiconductor interfaces
journal, November 2001

Phase patterning for ohmic homojunction contact in MoTe2
journal, August 2015

Band offsets, Schottky barrier heights, and their effects on electronic devices
journal, September 2013

  • Robertson, John
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 31, Issue 5
  • DOI: 10.1116/1.4818426

Theory of semiconductor heterojunctions: The role of quantum dipoles
journal, October 1984

Structural and electronic properties of the Al-GaAs(110) interface
journal, July 1986

  • Zhang, S. B.; Cohen, Marvin L.; Louie, Steven G.
  • Physical Review B, Vol. 34, Issue 2
  • DOI: 10.1103/PhysRevB.34.768

Van der Waals metal-semiconductor junction: Weak Fermi level pinning enables effective tuning of Schottky barrier
journal, April 2016

Universal alignment of hydrogen levels in semiconductors, insulators and solutions
journal, June 2003

N- and p-type carrier injections into WSe 2 with van der Waals contacts of two-dimensional materials
journal, March 2017

  • Sata, Yohta; Moriya, Rai; Masubuchi, Satoru
  • Japanese Journal of Applied Physics, Vol. 56, Issue 4S
  • DOI: 10.7567/JJAP.56.04CK09

Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors
journal, May 2009

  • Li, Yong-Hua; Walsh, Aron; Chen, Shiyou
  • Applied Physics Letters, Vol. 94, Issue 21
  • DOI: 10.1063/1.3143626