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Volumn 64, Issue 12, 2001, Pages

Si-H clusters, defects, and hydrogenated silicon

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; SILICON;

EID: 0035883466     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.125203     Document Type: Article
Times cited : (18)

References (55)
  • 2
    • 0001599099 scopus 로고
    • S. T. Pantelides, Gordon and Breach, New York, See, for example, in, edited by, p
    • See, for example, G D. Watkins, in Deep Centers in Semiconductors, edited by S. T. Pantelides (Gordon and Breach, New York, 1986), p. 147.
    • (1986) Deep Centers in Semiconductors , pp. 147
    • Watkins, G.D.1
  • 8
    • 0000605055 scopus 로고    scopus 로고
    • simple and split divacancies)
    • H. Seong and L J. Lewis, Phys. Rev. B53, 9791 (1996) (simple and split divacancies).
    • (1996) Phys. Rev. B , vol.53 , pp. 9791
    • Seong, H.1    Lewis, L.J.2
  • 11
    • 0032613495 scopus 로고    scopus 로고
    • See, for example, and, and references therein
    • See, for example, R. Biswas and Y.-P. Li, Phys. Rev. Lett.82, 2512 (1999), and references therein.
    • (1999) Phys. Rev. Lett. , vol.82 , pp. 2512
    • Biswas, R.1    P, Y.2
  • 15
    • 0000247003 scopus 로고    scopus 로고
    • These measurements identified luminescence centers containing two, three, and four H atoms in radiation-damaged Si
    • A N. Safonov and E C. Lightowlers, Mater. Sci. Eng., B36, 251 (1996). These measurements identified luminescence centers containing two, three, and four H atoms in radiation-damaged Si.
    • (1996) Mater. Sci. Eng., B , vol.36 , pp. 251
    • Safonov, A.N.1    Lightowlers, E.C.2
  • 28
    • 85038891337 scopus 로고    scopus 로고
    • A recent example is the study of carbon clusters with up to 32 atoms
    • A recent example is the study of carbon clusters with up to 32 atoms;
  • 33
    • 85038910127 scopus 로고    scopus 로고
    • CPMD program version 3.0, J. Hutter, Max-Planck-Institut für Festkörperforschung and IBM Research 1990-2000
    • CPMD program version 3.0, J. Hutter et al., Max-Planck-Institut für Festkörperforschung and IBM Research 1990-2000.
  • 35
    • 85038904797 scopus 로고    scopus 로고
    • DGauss program, UniChem package of Oxford Molecular Group (DZVP: double zeta basis with polarization functions, auxiliary basis A1
    • DGauss program, UniChem package of Oxford Molecular Group (DZVP: double zeta basis with polarization functions, auxiliary basis A1;
  • 36
    • 0010011518 scopus 로고
    • TZVP: triple zeta basis with polarization functions TZVP, auxiliary basis A2). LSD approximation:, and
    • TZVP: triple zeta basis with polarization functions TZVP, auxiliary basis A2). LSD approximation: S H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys.53, 1385 (1980).
    • (1980) Can. J. Phys. , vol.53 , pp. 1385
    • Vosko, S.H.1    Wilk, L.2    Nusair, M.3
  • 40
    • 85038949688 scopus 로고    scopus 로고
    • Experimental values are from the, edited by W. G. Mallard and P. J. Linstrom (National Institute of Standards and Technology, Gaithersburg, MD, 2000) (http://webbook.nist.gov)
    • Experimental values are from the NIST Chemistry WebBook, NIST Standard Reference Database Number 69, edited by W. G. Mallard and P. J. Linstrom (National Institute of Standards and Technology, Gaithersburg, MD, 2000) (http://webbook.nist.gov).
  • 43
    • 4243943295 scopus 로고    scopus 로고
    • Structure 33(c) is also found to be the most stable if the CPMD program is used with the gradient-corrected functional of, and, This structure was found by long simulated annealing runs starting from both (a) the bulk structure with two adjacent atoms removed, and (b) structure 33(b)
    • Structure 33(c) is also found to be the most stable if the CPMD program is used with the gradient-corrected functional of J P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett.77, 3865 (1996). This structure was found by long simulated annealing runs starting from both (a) the bulk structure with two adjacent atoms removed, and (b) structure 33(b).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 49
    • 0024753331 scopus 로고
    • The scaled frequencies are VH (formula presented) (formula presented) 2080, (formula presented) (formula presented) 2106, (formula presented) (formula presented) 2109, (formula presented)
    • P. Deák, M. Heinrich, L C. Snyder, and J W. Corbett, Mater. Sci. Eng., B4, 57 (1989). The scaled frequencies are VH (formula presented) (formula presented) 2080, (formula presented) (formula presented) 2106, (formula presented) (formula presented) 2109, (formula presented).
    • (1989) Mater. Sci. Eng., B , vol.4 , pp. 57
    • Deák, P.1    Heinrich, M.2    Snyder, L.C.3    Corbett, J.W.4
  • 50
    • 0001586945 scopus 로고
    • These calculations adopted a spin-averaged, non-self-consistent scheme using the Harris functional and the local density approximation. Nonlocal pseudopotentials and a minimum basis of localized atomiclike functions (one, and three, functions per site) were used
    • Y K. Park, S K. Estreicher, C W. Myles, and P A. Fedders, Phys. Rev. B52, 1718 (1995). These calculations adopted a spin-averaged, non-self-consistent scheme using the Harris functional and the local density approximation. Nonlocal pseudopotentials and a minimum basis of localized atomiclike functions (one s and three p functions per site) were used.
    • (1995) Phys. Rev. B , vol.52 , pp. 1718
    • Park, Y.K.1    Estreicher, S.K.2    Myles, C.W.3    Fedders, P.A.4
  • 54
    • 85038927482 scopus 로고    scopus 로고
    • ISI-PV, Forschungszentrum Jülich (private communication)
    • H. Wagner, ISI-PV, Forschungszentrum Jülich (private communication).
    • Wagner, H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.