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Volumn 73, Issue 20, 2006, Pages

First-principles study of intrinsic point defects in ZnO: Role of band structure, volume relaxation, and finite-size effects

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EID: 33646580081     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.205203     Document Type: Article
Times cited : (519)

References (53)
  • 3
    • 0010059052 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.63.075205
    • S. B. Zhang, S. H. Wei, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.075205 63, 075205 (2001).
    • (2001) Phys. Rev. B , vol.63 , pp. 075205
    • Zhang, S.B.1    Wei, S.H.2    Zunger, A.3
  • 5
    • 33749233469 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.72.085213
    • P. Erhart, A. Klein, and K. Albe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.085213 72, 085213 (2005).
    • (2005) Phys. Rev. B , vol.72 , pp. 085213
    • Erhart, P.1    Klein, A.2    Albe, K.3
  • 6
  • 8
    • 0035907738 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.86.5723
    • Y. Yan, S. B. Zhang, and S. T. Pantelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.5723 86, 5723 (2001).
    • (2001) Phys. Rev. Lett. , vol.86 , pp. 5723
    • Yan, Y.1    Zhang, S.B.2    Pantelides, S.T.3
  • 10
    • 0001110771 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.55.1418
    • M. S. Hybertsen and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.1418 55, 1418 (1985).
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 1418
    • Hybertsen, M.S.1    Louie, S.G.2
  • 11
    • 0001692252 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.62.4464
    • B. Arnaud and M. Alouani, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.4464 62, 4464 (2000).
    • (2000) Phys. Rev. B , vol.62 , pp. 4464
    • Arnaud, B.1    Alouani, M.2
  • 12
    • 0000095497 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.84.1232
    • S. B. Zhang, S.-H. Wei, and A. Zunger, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.1232 84, 1232 (2000).
    • (2000) Phys. Rev. Lett. , vol.84 , pp. 1232
    • Zhang, S.B.1    Wei, S.-H.2    Zunger, A.3
  • 15
    • 33749233582 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.72.035215
    • S. Lany and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72. 035215 72, 035215 (2005).
    • (2005) Phys. Rev. B , vol.72 , pp. 035215
    • Lany, S.1    Zunger, A.2
  • 20
    • 0008622017 scopus 로고
    • SSCOA4 0038-1098 10.1016/0038-1098(76)91105-4
    • W. Ranke, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(76) 91105-4 19, 685 (1976).
    • (1976) Solid State Commun. , vol.19 , pp. 685
    • Ranke, W.1
  • 23
    • 0022061008 scopus 로고
    • SSCOA4 0038-1098 10.1016/0038-1098(85)90591-5
    • G. Zwicker and K. Jacobi, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(85)90591-5 54, 701 (1985).
    • (1985) Solid State Commun. , vol.54 , pp. 701
    • Zwicker, G.1    Jacobi, K.2
  • 25
    • 12144289911 scopus 로고    scopus 로고
    • FDISE6 0301-7249
    • Faraday Discuss. FDISE6 0301-7249 124, 275 (2003).
    • (2003) Faraday Discuss. , vol.124 , pp. 275
  • 26
    • 4244088742 scopus 로고
    • PRBMDO. 0163-1829. 10.1103/PhysRevB.47.6971
    • P. Schröer, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.6971 47, 6971 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 6971
    • Schröer, P.1    Krüger, P.2    Pollmann, J.3
  • 27
    • 0001572490 scopus 로고    scopus 로고
    • PRBMDO. 0163-1829. 10.1103/PhysRevB.54.5495
    • D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.5495 54, 5495 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 5495
    • Vogel, D.1    Krüger, P.2    Pollmann, J.3
  • 29
    • 26144450583 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
    • J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 33
    • 0742322695 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.68.224436
    • M. S. Park and B. I. Min, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.224436 68, 224436 (2003).
    • (2003) Phys. Rev. B , vol.68 , pp. 224436
    • Park, M.S.1    Min, B.I.2
  • 35
    • 2442537377 scopus 로고    scopus 로고
    • PRBMDO. 0163-1829. 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 36
    • 25744460922 scopus 로고
    • PRBMDO. 0163-1829. 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 37
    • 0011236321 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 38
    • 0003754095 scopus 로고
    • edited by P.Ziesche and H. Eschrig (Akademie Verlag, Berlin
    • J. P. Perdew, in Electronic Structure of Solids, edited by, P.Ziesche, and, H. Eschrig, (Akademie Verlag, Berlin, 1991).
    • (1991) Electronic Structure of Solids
    • Perdew, J.P.1
  • 42
    • 30244560845 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.38.7649
    • G.-X. Qian, R. M. Martin, and D. J. Chadi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.38.7649 38, 7649 (1988).
    • (1988) Phys. Rev. B , vol.38 , pp. 7649
    • Qian, G.-X.1    Martin, R.M.2    Chadi, D.J.3
  • 43
    • 12044249420 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339
    • S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339 67, 2339 (1991).
    • (1991) Phys. Rev. Lett. , vol.67 , pp. 2339
    • Zhang, S.B.1    Northrup, J.E.2
  • 45
    • 0003998388 scopus 로고    scopus 로고
    • 85th ed., edited by D. R. Lide (CRC Press, Boca Raton, FL.
    • Handbook of Chemistry and Physics, 85th ed., edited by, D. R. Lide, (CRC Press, Boca Raton, FL., 2004).
    • (2004) Handbook of Chemistry and Physics
  • 49
    • 0011807762 scopus 로고
    • JGREA2 0148-0227 10.1063/1.1141509
    • F. Birch, J. Geophys. Res. JGREA2 0148-0227 10.1063/1.1141509 83, 1257 (1978).
    • (1978) J. Geophys. Res. , vol.83 , pp. 1257
    • Birch, F.1
  • 50
    • 0001671054 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.51.4014
    • G. Makov and M. C. Payne, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.4014 51, 4014 (1995).
    • (1995) Phys. Rev. B , vol.51 , pp. 4014
    • Makov, G.1    Payne, M.C.2
  • 51
  • 53
    • 33749159295 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.72.035211
    • C. Persson, Y.-J. Zhao, S. Lany, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.035211 72, 035211 (2005).
    • (2005) Phys. Rev. B , vol.72 , pp. 035211
    • Persson, C.1    Zhao, Y.-J.2    Lany, S.3    Zunger, A.4


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