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Title: Hybrid-Functional Calculations of the Copper Impurity in Silicon

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1376923
Grant/Contract Number:  
SC0014388
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Applied
Additional Journal Information:
Journal Name: Physical Review Applied Journal Volume: 8 Journal Issue: 2; Journal ID: ISSN 2331-7019
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Sharan, Abhishek, Gui, Zhigang, and Janotti, Anderson. Hybrid-Functional Calculations of the Copper Impurity in Silicon. United States: N. p., 2017. Web. doi:10.1103/PhysRevApplied.8.024023.
Sharan, Abhishek, Gui, Zhigang, & Janotti, Anderson. Hybrid-Functional Calculations of the Copper Impurity in Silicon. United States. doi:10.1103/PhysRevApplied.8.024023.
Sharan, Abhishek, Gui, Zhigang, and Janotti, Anderson. Fri . "Hybrid-Functional Calculations of the Copper Impurity in Silicon". United States. doi:10.1103/PhysRevApplied.8.024023.
@article{osti_1376923,
title = {Hybrid-Functional Calculations of the Copper Impurity in Silicon},
author = {Sharan, Abhishek and Gui, Zhigang and Janotti, Anderson},
abstractNote = {},
doi = {10.1103/PhysRevApplied.8.024023},
journal = {Physical Review Applied},
number = 2,
volume = 8,
place = {United States},
year = {2017},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevApplied.8.024023

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Cited by: 3 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

Deep levels of copper-hydrogen complexes in silicon
journal, August 2013


Applications of electrochemical microfabrication: An introduction
journal, September 1998


Acceptor Compensation in Silicon Induced by Chemomechanical Polishing
journal, January 1991

  • Prigge, Helene
  • Journal of The Electrochemical Society, Vol. 138, Issue 5
  • DOI: 10.1149/1.2085791

Optical properties of copper in silicon: Excitons bound to isoelectronic copper pairs
journal, June 1982


Projector augmented-wave method
journal, December 1994


Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

Diffusion and Solubility of Copper in Extrinsic and Intrinsic Germanium, Silicon, and Gallium Arsenide
journal, February 1964

  • Hall, R. N.; Racette, J. H.
  • Journal of Applied Physics, Vol. 35, Issue 2
  • DOI: 10.1063/1.1713322

Theory of substitutional and interstitial 3 d impurities in silicon
journal, November 1982


Deep level, quenched-in defects in silicon doped with gold, silver, iron, copper or nickel
journal, March 1983


Physics of Copper in Silicon
journal, January 2002

  • Istratov, Andrei A.; Weber, Eicke R.
  • Journal of The Electrochemical Society, Vol. 149, Issue 1
  • DOI: 10.1149/1.1421348

Transition metals in silicon
journal, January 1983

  • Weber, Eicke R.
  • Applied Physics A Solids and Surfaces, Vol. 30, Issue 1
  • DOI: 10.1007/BF00617708

Theory of hydrogen diffusion and reactions in crystalline silicon
journal, May 1989

  • Van de Walle, Chris G.; Denteneer, P. J. H.; Bar-Yam, Y.
  • Physical Review B, Vol. 39, Issue 15
  • DOI: 10.1103/PhysRevB.39.10791

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Reduction of the Linewidths of Deep Luminescence Centers in Si 28 Reveals Fingerprints of the Isotope Constituents
journal, April 2008


Impurities in silicon solar cells
journal, April 1980

  • Davis, J.R.; Rohatgi, A.; Hopkins, R.H.
  • IEEE Transactions on Electron Devices, Vol. 27, Issue 4, p. 677-687
  • DOI: 10.1109/T-ED.1980.19922

Copper related diffusion phenomena in germanium and silicon
journal, January 2004


Degradation of Gate Oxide Integrity by Metal Impurities
journal, December 1989

  • Hiramoto, Kazuo; Sano, Masakazu; Sadamitsu, Shinsuke
  • Japanese Journal of Applied Physics, Vol. 28, Issue Part 2, No. 12
  • DOI: 10.1143/JJAP.28.L2109

Interstitial copper-related center in n-type silicon
journal, October 1997

  • Istratov, A. A.; Hieslmair, H.; Flink, C.
  • Applied Physics Letters, Vol. 71, Issue 16
  • DOI: 10.1063/1.120026

Copper-related defects in silicon
journal, January 2004


Precipitation-Induced Currents and Generation-Recombination Currents in Intentionally Contaminated Silicon P+N Junctions
journal, January 1977

  • Busta, H. H.
  • Journal of The Electrochemical Society, Vol. 124, Issue 9
  • DOI: 10.1149/1.2133667

Spin Resonance of Pd and Pt in Silicon
journal, April 1962


Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
journal, June 2006

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 124, Issue 21
  • DOI: 10.1063/1.2204597

Titanium and copper in Si: Barriers for diffusion and interactions with hydrogen
journal, June 1992

  • Woon, David E.; Marynick, Dennis S.; Estreicher, Stefan K.
  • Physical Review B, Vol. 45, Issue 23
  • DOI: 10.1103/PhysRevB.45.13383

Intrinsic Diffusion Coefficient of Interstitial Copper in Silicon
journal, August 1998


Dissociation of the 1.014 eV photoluminescence copper center in silicon crystal
journal, December 1998


Impurity effects in silicon for high efficiency solar cells
journal, May 1986


Evidence for a shallow Cu acceptor in Si from infrared spectroscopy and photoconductivity
journal, October 2014


Temperature dependence of the band gap of silicon
journal, April 1974

  • Bludau, W.; Onton, A.; Heinke, W.
  • Journal of Applied Physics, Vol. 45, Issue 4
  • DOI: 10.1063/1.1663501

Electronic structure of copper, silver, and gold impurities in silicon
journal, July 1985


Copper-hydrogen complexes in silicon
journal, April 2002


The dissociation energy and the charge state of a copper-pair center in silicon
journal, January 1998

  • Istratov, A. A.; Hieslmair, H.; Heiser, T.
  • Applied Physics Letters, Vol. 72, Issue 4
  • DOI: 10.1063/1.120790

Copper, lithium, and hydrogen passivation of boron in c -Si
journal, March 1990


Properties of Silicon Doped with Iron or Copper
journal, December 1957


A new structure of Cu complex in Si and its photoluminescence
journal, January 2009


The Stable Site and Diffusion of Impurity Cu in Si
journal, December 2009

  • Yamaguchi, H.; Shirai, K.; Katayama-Yoshida, H.
  • Journal of Computational and Theoretical Nanoscience, Vol. 6, Issue 12
  • DOI: 10.1166/jctn.2009.1324

Native point defects in ZnO
journal, October 2007


Electronic and magnetic structure of 3 d– transition-metal point defects in silicon calculated from first principles
journal, January 1990


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


Identification of copper-copper and copper-hydrogen complexes in silicon
journal, February 2013


Generalized Kohn-Sham schemes and the band-gap problem
journal, February 1996


Rich chemistry of copper in crystalline silicon
journal, August 1999


Breakdown in silicon oxides—correlation with Cu precipitates
journal, August 1984

  • Honda, Kouichirou; Ohsawa, Akira; Toyokura, Nobuo
  • Applied Physics Letters, Vol. 45, Issue 3
  • DOI: 10.1063/1.95168

Electrical characterization of copper related defect reactions in silicon
journal, February 1999


Electronic structure calculations for substitutional copper and monovacancies in silicon
journal, August 2006


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Degradation mechanism for silicon p+-n junctions under forward bias
journal, November 1981


Thermal expansion of AlN, sapphire, and silicon
journal, March 1974

  • Yim, W. M.; Paff, R. J.
  • Journal of Applied Physics, Vol. 45, Issue 3
  • DOI: 10.1063/1.1663432

Metal Precipitates in Silicon p‐n Junctions
journal, October 1960

  • Goetzberger, A.; Shockley, W.
  • Journal of Applied Physics, Vol. 31, Issue 10
  • DOI: 10.1063/1.1735455

Electrical properties and recombination activity of copper, nickel and cobalt in silicon
journal, February 1998

  • Istratov, A. A.; Weber, E. R.
  • Applied Physics A: Materials Science & Processing, Vol. 66, Issue 2
  • DOI: 10.1007/s003390050649

Copper Behavior in Bulk Silicon and Associated Characterization Techniques
journal, January 2003

  • Heiser, T.; Belayachi, A.; Schunck, J. P.
  • Journal of The Electrochemical Society, Vol. 150, Issue 12
  • DOI: 10.1149/1.1627351

Lattice Location and Stability of Ion Implanted Cu in Si
journal, February 2000


Hybrid functional calculations of native point defects in InN
journal, November 2011

  • Janotti, A.; Lyons, J. L.; Van de Walle, C. G.
  • physica status solidi (a), Vol. 209, Issue 1
  • DOI: 10.1002/pssa.201100216

Hydrogen interactions with defects in crystalline solids
journal, April 1992


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


Impact of Fe and Cu Contamination on the Minority Carrier Lifetime of Silicon Substrates
journal, January 1996

  • Rotondaro, A. L. P.
  • Journal of The Electrochemical Society, Vol. 143, Issue 9
  • DOI: 10.1149/1.1837141

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

Role of Si and Ge as impurities in ZnO
journal, November 2009


Diffusion of transition-metal impurities in silicon
journal, December 2007


Inhomogeneous Electron Gas
journal, November 1964


First-principles theory of copper in silicon
journal, January 2004


The Self-Diffusion of Copper
journal, July 1939


Detection of copper contamination in silicon by surface photovoltage diffusion length measurements
journal, January 1999

  • Henley, Worth B.; Ramappa, Deepak A.; Jastrezbski, Lubek
  • Applied Physics Letters, Vol. 74, Issue 2
  • DOI: 10.1063/1.123280

Accurate Exchange-Correlation Potential for Silicon and Its Discontinuity on Addition of an Electron
journal, June 1986


Lattice location of implanted Cu in highly doped Si
journal, October 2000

  • Wahl, U.; Vantomme, A.; Langouche, G.
  • Applied Physics Letters, Vol. 77, Issue 14
  • DOI: 10.1063/1.1314876

Copper interactions with H, O, and the self-interstitial in silicon
journal, July 2003


Passivation of copper in silicon by hydrogen
journal, December 2005


Four-copper complexes in Si and the Cu-photoluminescence defect: A first-principles study
journal, October 2011


Deep levels of copper in silicon
journal, September 1987

  • Brotherton, S. D.; Ayres, J. R.; Gill, A.
  • Journal of Applied Physics, Vol. 62, Issue 5
  • DOI: 10.1063/1.339564

Electric Degradation and Defect Formation of Silicon Due to Cu, Fe, and Ni Contamination
journal, January 1992


New theoretical approach of transition-metal impurities in semiconductors
journal, January 1989


Copper in silicon n+-p junctions
journal, February 1972


Störstellenreaktionen bei Cu-dotierten Siliziumkristallen
journal, June 1986


Electronic state of interstitial Cu in bulk Si: Density functional calculations
journal, April 2006


Characterization of metallic impurities in Si using a recombination-lifetime correlation method
journal, October 1997

  • Itsumi, Manabu; Sato, Yoshiyuki; Imai, Kazuo
  • Journal of Applied Physics, Vol. 82, Issue 7
  • DOI: 10.1063/1.365632

Formation of copper precipitates in silicon
journal, December 1999


Copper–hydrogen complexes in silicon
journal, December 1999