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Volumn 67, Issue 16, 2003, Pages

Breakdown of the band-gap-common-cation rule: The origin of the small band gap of InN

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; ATOMIC PARTICLE; CALCULATION; CORRELATION ANALYSIS; ENERGY; MATHEMATICAL ANALYSIS; SEMICONDUCTOR;

EID: 0141474710     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.165209     Document Type: Article
Times cited : (102)

References (39)
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    • 85038310307 scopus 로고    scopus 로고
    • edited by O. Madelung, M. Schulz, and H. Weiss, Landolt-Börnstein, New Series, Group III, 22, Pt. a (Springer, Berlin, 1987)
    • Intrinsic Properties of Group IV Elements and III-V, II-VI, and I-VII Compounds, edited by O. Madelung, M. Schulz, and H. Weiss, Landolt-Börnstein, New Series, Group III, Vol. 22, Pt. a (Springer, Berlin, 1987);
  • 9
    • 85038288818 scopus 로고    scopus 로고
    • T. L. Tansley, edited by J.H. Edgar (INSPEC, London, 1999), p. 39
    • T. L. Tansley, Properties of Group III Nitrides, edited by J.H. Edgar (INSPEC, London, 1999), p. 39.
  • 14
    • 85038267968 scopus 로고    scopus 로고
    • edited by J.H. Edgar (INSPEC, London, 1994)
    • Properties of Group III Nitrides, edited by J.H. Edgar (INSPEC, London, 1994).
  • 15
    • 85038319611 scopus 로고    scopus 로고
    • H. Morkoc, (Springer, New York, 1999)
    • H. Morkoc, Nitride Semiconductors and Devices (Springer, New York, 1999).
  • 32
    • 0033148229 scopus 로고    scopus 로고
    • Our GW calculation is performed using the open-source, code, which was developed by the Universite Catholique de Louvain, Corning Incorporated, and other contributors (URL: http://www.abinit.org). The pseudopotentials are generated using the, code [, and, For GaAs, our calculated quasipartical gap is 1.4 eV. For the nitrides, we find that the GW gaps are 3.3, 3.5, 0.3, 0.5 eV, respectively, for ZB-GaN, WZ-GaN, ZB-InN, and WZ-InN. Detailed discussion of the GW results will be presented elsewhere
    • Our GW calculation is performed using the open-source ABINIT3.3 code, which was developed by the Universite Catholique de Louvain, Corning Incorporated, and other contributors (URL: http://www.abinit.org). The pseudopotentials are generated using the FHI98PP code [M. Fuchs and M. Scheffler, Comput. Phys. Commun.119, 67 (1999)]. For GaAs, our calculated quasipartical gap is 1.4 eV. For the nitrides, we find that the GW gaps are 3.3, 3.5, 0.3, 0.5 eV, respectively, for ZB-GaN, WZ-GaN, ZB-InN, and WZ-InN. Detailed discussion of the GW results will be presented elsewhere.
    • (1999) Comput. Phys. Commun. , vol.119 , pp. 67
    • Fuchs, M.1    Scheffler, M.2
  • 35
    • 85038347140 scopus 로고    scopus 로고
    • D.J. Singh, (Kluwer, Boston, 1994)
    • D.J. Singh, Planewaves, Pseudopotentials, and the LAPW Method, (Kluwer, Boston, 1994).
  • 39
    • 0037121634 scopus 로고    scopus 로고
    • After the submission of this paper we note that the quasipartical calculation of, and,) also find that the band gap of InN is less than 1 eV, in agreement with our result
    • After the submission of this paper we note that the quasipartical calculation of F. Bechstedt and J. Furthmuller, J. Cryst. Growth246, 315 (2002) also find that the band gap of InN is less than 1 eV, in agreement with our result.
    • (2002) J. Cryst. Growth , vol.246 , pp. 315
    • Bechstedt, F.1    Furthmuller, J.2


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