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Volumn 23, Issue 33, 2011, Pages

Hydrogenated cation vacancies in semiconducting oxides

Author keywords

[No Author keywords available]

Indexed keywords

BENEFICIAL EFFECTS; CATION VACANCIES; ELECTRONIC AND STRUCTURAL PROPERTIES; FAVORABLE CONDITIONS; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; HYDROGEN IMPURITY; INTERSTITIALS; MICROSCOPIC IDENTIFICATION; SCATTERING CENTERS; SEMICONDUCTING OXIDE; TRANSPARENT CONDUCTING OXIDE;

EID: 80051937833     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/33/334212     Document Type: Article
Times cited : (326)

References (54)
  • 1
    • 0034251416 scopus 로고    scopus 로고
    • Criteria for choosing transparent conductors
    • Gordon R G 2000 Criteria for choosing transparent conductors Mater. Res. Soc. Bull. 25 52-7
    • (2000) Mater. Res. Soc. Bull. , vol.25 , pp. 52-57
    • Gordon, R.G.1
  • 5
    • 45249100389 scopus 로고    scopus 로고
    • Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
    • Oba F, Togo A, Tanaka I, Paier J and Kresse G 2008 Defect energetics in ZnO: a hybrid Hartree-Fock density functional study Phys. Rev. B 77 245202
    • (2008) Phys. Rev. B , vol.77 , pp. 245202
    • Oba, F.1    Togo, A.2    Tanaka, I.3    Paier, J.4    Kresse, G.5
  • 6
    • 70449730669 scopus 로고    scopus 로고
    • Fundamentals of zinc oxide as a semiconductor
    • Janotti A and Van de Walle C G 2009 Fundamentals of zinc oxide as a semiconductor Rep. Prog. Phys. 72 126501
    • (2009) Rep. Prog. Phys. , vol.72 , pp. 126501
    • Janotti, A.1    Van De Walle, C.G.2
  • 9
    • 18244430368 scopus 로고    scopus 로고
    • Hydrogen as a cause of doping in zinc oxide
    • Van de Walle C G 2000 Hydrogen as a cause of doping in zinc oxide Phys. Rev. Lett. 85 1012-5
    • (2000) Phys. Rev. B Lett. , vol.85 , pp. 1012-1015
    • Van De Walle, C.G.1
  • 11
    • 33846011101 scopus 로고    scopus 로고
    • Hydrogen multicentre bonds
    • DOI 10.1038/nmat1795, PII NMAT1795
    • Janotti A and Van de Walle C G 2007 Hydrogen multicentre bonds Nat. Mater. 6 44-7 (Pubitemid 46041475)
    • (2007) Nature Materials , vol.6 , Issue.1 , pp. 44-47
    • Janotti, A.1    Van De Walle, C.G.2
  • 17
    • 36048932725 scopus 로고    scopus 로고
    • Sources of n-type conductivity in ZnO
    • DOI 10.1016/j.physb.2007.08.186, PII S0921452607007314
    • McCluskey M D and Jokela S J 2007 Sources of n-type conductivity in ZnO Proc. 24th Int. Conf. on Defects in Semiconductors Physica B 401/402 355-7 (Pubitemid 350102109)
    • (2007) Physica B: Condensed Matter , vol.401-402 , pp. 355-357
    • McCluskey, M.D.1    Jokela, S.J.2
  • 25
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn W and Sham L J 1965 Self-consistent equations including exchange and correlation effects Phys. Rev. 140 A1133-8
    • (1965) Phys. Rev. B , vol.140 , Issue.4 A
    • Kohn, W.1    Sham, L.J.2
  • 26
    • 34547139312 scopus 로고    scopus 로고
    • Hybrid functionals based on a screened Coulomb potential [J. Chem. Phys. 118 8207]
    • Heyd J, Scuseria G E and Ernzerhof M 2006 Hybrid functionals based on a screened Coulomb potential [J. Chem. Phys. 118 8207] J. Chem. Phys. 124 219906 (erratum)
    • (2006) J. Chem. Phys. , vol.124 , pp. 219906
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 27
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • Blöchl P E 1994 Projector augmented-wave method Phys. Rev. B 50 17953-79
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 28
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse G and Furthmüller J 1996 Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 11169-86
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 29
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse G and Joubert D 1999 From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 59 1758-75
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 37
    • 1242329035 scopus 로고    scopus 로고
    • Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
    • DOI 10.1063/1.1323224
    • Henkelman G and Jónsson H 2000 Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points J. Chem. Phys. 113 9978-85 (Pubitemid 32076892)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.22 , pp. 9978-9985
    • Henkelman, G.1    Jonsson, H.2
  • 38
    • 58849141743 scopus 로고    scopus 로고
    • Fully ab initio finite-size corrections for charged-defect supercell calculations
    • Freysoldt C, Neugebauer J and Van de Walle C G 2009 Fully ab initio finite-size corrections for charged-defect supercell calculations Phys. Rev. Lett. 102 016402
    • (2009) Phys. Rev. B Lett. , vol.102 , pp. 016402
    • Freysoldt, C.1    Neugebauer, J.2    Van De Walle, C.G.3
  • 40
    • 36549099749 scopus 로고
    • 3 films: Basic optical properties and applications to energy-efficient windows
    • 3 films: basic optical properties and applications to energy-efficient windows J. Appl. Phys. 60 R123-60
    • (1986) J. Appl. Phys. , vol.60
    • Hamberg, I.1    Granqvist, C.G.2
  • 42
    • 2342456342 scopus 로고    scopus 로고
    • First-principles calculations for defects and impurities: Applications to III-nitrides
    • Van de Walle C G and Neugebauer J 2004 First-principles calculations for defects and impurities: applications to III-nitrides J. Appl. Phys. 95 3851-79
    • (2004) J. Appl. Phys. , vol.95 , pp. 3851-3879
    • Van De Walle, C.G.1    Neugebauer, J.2
  • 44
    • 7544251489 scopus 로고    scopus 로고
    • Identification of hydrogen configurations in p-type GaN through first-principles calculations of vibrational frequencies
    • Limpijumnong S, Northrup J E and Van de Walle C G 2003 Identification of hydrogen configurations in p-type GaN through first-principles calculations of vibrational frequencies Phys. Rev. B 68 075206
    • (2003) Phys. Rev. B , vol.68 , pp. 075206
    • Limpijumnong, S.1    Northrup, J.E.2    Van De Walle, C.G.3
  • 47
    • 0011083273 scopus 로고    scopus 로고
    • Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Møller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors
    • Scott A P and Radom L 1996 Harmonic vibrational frequencies: an evaluation of Hartree-Fock, Moller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors J. Phys. Chem. 100 16502-13 (Pubitemid 126787989)
    • (1996) Journal of Physical Chemistry , vol.100 , Issue.41 , pp. 16502-16513
    • Scott, A.P.1    Radom, L.2
  • 49
    • 0001707121 scopus 로고
    • 2 single crystals by a vapour phase reaction method
    • 2 single crystals by a vapour phase reaction method J. Cryst. Growth 32 259-64
    • (1976) J. Cryst. Growth , vol.32 , pp. 259-264
    • Thiel, B.1    Helbig, R.2
  • 50
    • 77955624090 scopus 로고    scopus 로고
    • Ab initio modeling of d iffusion in indium oxide
    • goston P and Albe K 2010 Ab initio modeling of d iffusion in indium oxide Phys. Rev. B 81 195205
    • (2010) Phys. Rev. B , vol.81 , pp. 195205
    • Goston, P.1    Albe, K.2
  • 51
    • 2342534428 scopus 로고    scopus 로고
    • Thermodynamic assessment of the gallium-oxygen system
    • Zinkevich M and Aldinger F 2004 Thermodynamic assessment of the gallium-oxygen system J. Am. Ceram. Soc. 87 683-91
    • (2004) J. Am. Ceram. Soc. , vol.87 , pp. 683-691
    • Zinkevich, M.1    Aldinger, F.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.