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Title: Effects of excess carriers on charged defect concentrations in wide bandgap semiconductors

Abstract

Unintentional doping and doping limits in semiconductors are typically caused by compensating defects with low formation energies. Since the formation enthalpy of a charged defect depends linearly on the Fermi level, doping limits can be especially pronounced in wide bandgap semiconductors where the Fermi level can vary substantially. Introduction of non-equilibrium carrier concentrations during growth or processing alters the chemical potentials of band carriers and allows populations of charged defects to be modified in ways impossible at thermal equilibrium. We demonstrate that in the presence of excess carriers, the rates of carrier capture and emission involving a defect charge transition level determine the admixture of electron and hole quasi-Fermi levels involved in the formation enthalpy of non-zero charge defect states. To understand the range of possible responses, we investigate the behavior of a single donor-like defect as functions of extrinsic doping and charge transition level energy. We find that that excess carriers will increase the formation enthalpy of compensating defects for most values of the charge transition level in the bandgap. Thus, it may be possible to use non-equilibrium carrier concentrations to overcome limitations on doping imposed by native defects. Cases also exist in which the concentration of defects withmore » the same charge polarity as the majority dopant is either left unchanged or actually increases. This surprising effect arises when emission rates are suppressed relative to the capture rates and is most pronounced in wide bandgap semiconductors. We provide guidelines for carrying out experimental tests of this model.« less

Authors:
 [1]; ORCiD logo [2]
  1. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  2. Univ. of Utah, Salt Lake City, UT (United States)
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1440312
Alternate Identifier(s):
OSTI ID: 1436390
Report Number(s):
NREL/JA-5K00-71463
Journal ID: ISSN 0021-8979; TRN: US1900714
Grant/Contract Number:  
AC36-08GO28308; EE0004946
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 123; Journal Issue: 18; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; thermodynamics; thermodynamic functions; doping; band gap; band structure; semiconductors; surface collisions; epitaxy; crystal defects

Citation Formats

Alberi, Kirstin, and Scarpulla, Michael A. Effects of excess carriers on charged defect concentrations in wide bandgap semiconductors. United States: N. p., 2018. Web. doi:10.1063/1.5010945.
Alberi, Kirstin, & Scarpulla, Michael A. Effects of excess carriers on charged defect concentrations in wide bandgap semiconductors. United States. doi:10.1063/1.5010945.
Alberi, Kirstin, and Scarpulla, Michael A. Tue . "Effects of excess carriers on charged defect concentrations in wide bandgap semiconductors". United States. doi:10.1063/1.5010945. https://www.osti.gov/servlets/purl/1440312.
@article{osti_1440312,
title = {Effects of excess carriers on charged defect concentrations in wide bandgap semiconductors},
author = {Alberi, Kirstin and Scarpulla, Michael A.},
abstractNote = {Unintentional doping and doping limits in semiconductors are typically caused by compensating defects with low formation energies. Since the formation enthalpy of a charged defect depends linearly on the Fermi level, doping limits can be especially pronounced in wide bandgap semiconductors where the Fermi level can vary substantially. Introduction of non-equilibrium carrier concentrations during growth or processing alters the chemical potentials of band carriers and allows populations of charged defects to be modified in ways impossible at thermal equilibrium. We demonstrate that in the presence of excess carriers, the rates of carrier capture and emission involving a defect charge transition level determine the admixture of electron and hole quasi-Fermi levels involved in the formation enthalpy of non-zero charge defect states. To understand the range of possible responses, we investigate the behavior of a single donor-like defect as functions of extrinsic doping and charge transition level energy. We find that that excess carriers will increase the formation enthalpy of compensating defects for most values of the charge transition level in the bandgap. Thus, it may be possible to use non-equilibrium carrier concentrations to overcome limitations on doping imposed by native defects. Cases also exist in which the concentration of defects with the same charge polarity as the majority dopant is either left unchanged or actually increases. This surprising effect arises when emission rates are suppressed relative to the capture rates and is most pronounced in wide bandgap semiconductors. We provide guidelines for carrying out experimental tests of this model.},
doi = {10.1063/1.5010945},
journal = {Journal of Applied Physics},
number = 18,
volume = 123,
place = {United States},
year = {2018},
month = {5}
}

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Works referenced in this record:

Surface stoichiometry and reaction kinetics of molecular beam epitaxially grown (001) CdTe surfaces
journal, October 1986

  • Benson, J. D.; Wagner, B. K.; Torabi, A.
  • Applied Physics Letters, Vol. 49, Issue 16
  • DOI: 10.1063/1.97463

Defect quasi Fermi level control-based C N reduction in GaN: Evidence for the role of minority carriers
journal, October 2017

  • Reddy, Pramod; Kaess, Felix; Tweedie, James
  • Applied Physics Letters, Vol. 111, Issue 15
  • DOI: 10.1063/1.5000720

Suppression of compensating native defect formation during semiconductor processing via excess carriers
journal, June 2016

  • Alberi, K.; Scarpulla, M. A.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep27954

Effects of incident UV light on the surface morphology of MBE grown GaAs
journal, March 2015


Acceptor compensation mechanism by midgap defects in nitrogen‐doped ZnSe films
journal, August 1991

  • Ohki, A.; Kawaguchi, Y.; Ando, K.
  • Applied Physics Letters, Vol. 59, Issue 6
  • DOI: 10.1063/1.105360

First-principles calculations for defects and impurities: Applications to III-nitrides
journal, April 2004

  • Van de Walle, Chris G.; Neugebauer, Jörg
  • Journal of Applied Physics, Vol. 95, Issue 8
  • DOI: 10.1063/1.1682673

Point defect reduction in wide bandgap semiconductors by defect quasi Fermi level control
journal, November 2016

  • Reddy, P.; Hoffmann, M. P.; Kaess, F.
  • Journal of Applied Physics, Vol. 120, Issue 18
  • DOI: 10.1063/1.4967397

Microscopic Origin of the Phenomenological Equilibrium “Doping Limit Rule” in n -Type III-V Semiconductors
journal, February 2000


Low‐temperature photoluminescence study of doped CdTe films grown by photoassisted molecular‐beam epitaxy
journal, September 1987

  • Giles, N. C.; Bicknell, R. N.; Schetzina, J. F.
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 5, Issue 5
  • DOI: 10.1116/1.574217

Controlled substitutional doping of CdTe thin films grown by photoassisted molecular‐beam epitaxy
journal, September 1987

  • Bicknell, R. N.; Giles, N. C.; Schetzina, J. F.
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 5, Issue 5
  • DOI: 10.1116/1.574216

The effect of illumination power density on carbon defect configuration in silicon doped GaN
journal, December 2016

  • Kaess, Felix; Reddy, Pramod; Alden, Dorian
  • Journal of Applied Physics, Vol. 120, Issue 23
  • DOI: 10.1063/1.4972468

Photo-assisted metalorganic vapor phase epitaxial growth of wide-gap II–VI semiconductors
journal, February 1992


Laser-induced molecular processes on surfaces
journal, December 1986


Properties of II–VI semiconductor films grown by photoassisted molecular-beam epitaxy
journal, March 1989

  • Harper, R. L.
  • Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 7, Issue 2
  • DOI: 10.1116/1.584726

Mechanism of Fermi-level stabilization in semiconductors
journal, March 1988


Statistics of the Recombinations of Holes and Electrons
journal, September 1952


Heavily doped p ‐ZnSe:N grown by molecular beam epitaxy
journal, December 1991

  • Qiu, J.; DePuydt, J. M.; Cheng, H.
  • Applied Physics Letters, Vol. 59, Issue 23
  • DOI: 10.1063/1.105821

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


Fermi level control of compensating point defects during metalorganic chemical vapor deposition growth of Si-doped AlGaN
journal, December 2014

  • Bryan, Zachary; Bryan, Isaac; Gaddy, Benjamin E.
  • Applied Physics Letters, Vol. 105, Issue 22
  • DOI: 10.1063/1.4903058

Low-temperature MBE growth of p-type ZnSe using UV laser irradiation
journal, April 1993


Photoassisted Electron-Beam Deposition of Al-Doped ZnS Thin Films
journal, January 1991

  • Döring, H.
  • Journal of The Electrochemical Society, Vol. 138, Issue 5
  • DOI: 10.1149/1.2085798

Auger Recombination in GaAs from First Principles
journal, July 2014

  • Steiauf, Daniel; Kioupakis, Emmanouil; Van de Walle, Chris G.
  • ACS Photonics, Vol. 1, Issue 8
  • DOI: 10.1021/ph500119q

Light-induced effects on the growth and doping of wide-bandgap II-VI compounds
journal, September 1991


Fermi energy tuning with light to control doping profiles during epitaxy
journal, May 2015

  • Sanders, C. E.; Beaton, D. A.; Reedy, R. C.
  • Applied Physics Letters, Vol. 106, Issue 18
  • DOI: 10.1063/1.4921047

Temperature dependence of the direct gaps of ZnSe and Zn 0.56 Cd 0.44 Se
journal, July 1996


Photoluminescence Spectra of Nitrogen-Doped ZnSe by Photoassisted Metal-Organic Chemical Vapor Deposition
journal, April 1996

  • Fujita, Yasuhisa; Terada, Toshiyuki; Fujii, Satoshi
  • Japanese Journal of Applied Physics, Vol. 35, Issue Part 2, No. 4B
  • DOI: 10.1143/JJAP.35.L473

Insight into the epitaxial growth of high optical quality GaAs 1–x Bi x
journal, December 2015

  • Beaton, D. A.; Mascarenhas, A.; Alberi, K.
  • Journal of Applied Physics, Vol. 118, Issue 23
  • DOI: 10.1063/1.4937574

Semiconductor surface diffusion: Nonthermal effects of photon illumination
journal, May 2000


Point defect modification in wide band gap semiconductors through interaction with high-energy electrons: Is reflection high-energy electron diffraction truly benign?
journal, January 2000

  • Myers, T. H.; Ptak, A. J.; VanMil, B. L.
  • Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 18, Issue 4
  • DOI: 10.1116/1.1306295

Study on the behavior of surface adatoms during photoassisted MBE of ZnSe and improvement of surface morphology
journal, December 1991


Deep traps in GaN-based structures as affecting the performance of GaN devices
journal, August 2015


A comprehensive review of ZnO materials and devices
journal, August 2005

  • Özgür, Ü.; Alivov, Ya. I.; Liu, C.
  • Journal of Applied Physics, Vol. 98, Issue 4
  • DOI: 10.1063/1.1992666

Electron-Hole Recombination in Germanium
journal, July 1952


Semiconductors: Data Handbook
journal, August 2004