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Volumn 79, Issue 7, 2009, Pages

First-principles studies of small arsenic interstitial complexes in crystalline silicon

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EID: 60949109242     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.075201     Document Type: Article
Times cited : (7)

References (40)
  • 1
    • 60949090978 scopus 로고    scopus 로고
    • International Technology Roadmap for Semiconductors
    • International Technology Roadmap for Semiconductors, 2007.
    • (2007)
  • 7
    • 4243706867 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.83.1795
    • J. Xie and S. P. Chen, Phys. Rev. Lett. 83, 1795 (1999). 10.1103/PhysRevLett.83.1795
    • (1999) Phys. Rev. Lett. , vol.83 , pp. 1795
    • Xie, J.1    Chen, S.P.2
  • 19
    • 10644250257 scopus 로고
    • 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 20
    • 0042113153 scopus 로고
    • 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 22
    • 12844286241 scopus 로고
    • 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 10.1103/PhysRevB.47.558
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 23
    • 33645898818 scopus 로고
    • 10.1103/PhysRevB.45.13244
    • J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 24
    • 1842816907 scopus 로고
    • 10.1103/PhysRevB.13.5188
    • H. Monkhorst and J. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.1    Pack, J.2
  • 28
    • 0035893964 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.64.235204
    • J.-W. Jeong and A. Oshiyama, Phys. Rev. B 64, 235204 (2001). 10.1103/PhysRevB.64.235204
    • (2001) Phys. Rev. B , vol.64 , pp. 235204
    • Jeong, J.-W.1    Oshiyama, A.2
  • 29
    • 60949085300 scopus 로고    scopus 로고
    • The formation energy is defined by Ef =E [Si217 As] -217 μSi - μAs, where E [Si217 As] is the total energy of As-interstitial complexes in the 216 atom supercell, μSi is the energy per atom (=E [Si216 /216]) in bulk Si, and μAs is the relative energy per substitutional As atom in defect-free bulk Si (=E [Si215 As] -215 μSi).
    • The formation energy is defined by Ef =E [Si217 As] -217 μSi - μAs, where E [Si217 As] is the total energy of As-interstitial complexes in the 216 atom supercell, μSi is the energy per atom (=E [Si216 /216]) in bulk Si, and μAs is the relative energy per substitutional As atom in defect-free bulk Si (=E [Si215 As] -215 μSi).
  • 31
    • 60949110353 scopus 로고    scopus 로고
    • The formation energy is defined by Ef =E [Si216 As2] -216 μSi -2 μAs, where E [Si216 As2] is the total energy of arsenic-interstitial complexes in the 216 atom supercell.
    • The formation energy is defined by Ef =E [Si216 As2] -216 μSi -2 μAs, where E [Si216 As2] is the total energy of arsenic-interstitial complexes in the 216 atom supercell.
  • 33
    • 60949096183 scopus 로고    scopus 로고
    • Ef1 (Asn Im) =E (Asn Im) - (216+m-n) × μSi -n× μAs.
    • Ef1 (Asn Im) =E (Asn Im) - (216+m-n) × μSi -n× μAs.
  • 34
    • 60949091155 scopus 로고    scopus 로고
    • Ef2 (Asn Im) =E (Asn Im) - (216-n) × μSi -m× μI -n× μAs, μI =E (Si217) -216× μSi.
    • Ef2 (Asn Im) =E (Asn Im) - (216-n) × μSi -m× μI -n× μAs, μI =E (Si217) -216× μSi.
  • 35
    • 60949110671 scopus 로고    scopus 로고
    • Ef3 (Asn Im) = Ef2 (Asn Im) + Ef ({311}) per atom
    • Ef3 (Asn Im) = Ef2 (Asn Im) + Ef ({311}) per atom.
  • 40
    • 52349108658 scopus 로고    scopus 로고
    • 10.1063/1.2976010
    • L. Xu and G. Henkelman, J. Chem. Phys. 129, 114104 (2008). 10.1063/1.2976010
    • (2008) J. Chem. Phys. , vol.129 , pp. 114104
    • Xu, L.1    Henkelman, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.