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Volumn 64, Issue 19, 2001, Pages

Influence of surface morphology on the Si(100) and (111) ionization potentials

Author keywords

[No Author keywords available]

Indexed keywords

SILICON;

EID: 0035891219     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.195305     Document Type: Article
Times cited : (31)

References (43)
  • 1
    • 0006809954 scopus 로고
    • G. Höhler, E.A. Niekisch, Springer-Verlag, Berlin, and, in, edited by, and, p., and references therein
    • J. Hölzl and F K. Schulte, in Springer Tracts in Modern Physics: Solid Surface Physics, edited by G. Höhler and E.A. Niekisch (Springer-Verlag, Berlin, 1979), Vol. 85, Chap. 1, p. 2, and references therein.
    • (1979) Springer Tracts in Modern Physics: Solid Surface Physics , vol.85, Chap. 1 , pp. 2
    • Hölzl, J.1    Schulte, F.K.2
  • 15
    • 85038945923 scopus 로고    scopus 로고
    • Of course, this might be due to the fact that the proper parameter to consider in the case of Si is the IP, and that WF and IP trends may not necessarily be identical. To date, unfortunately, no data are available on the anisotropy of the Si IP; only the Si(111) IP has been measured (in Refs
    • Of course, this might be due to the fact that the proper parameter to consider in the case of Si is the IP, and that WF and IP trends may not necessarily be identical. To date, unfortunately, no data are available on the anisotropy of the Si IP; only the Si(111) IP has been measured (in Refs. 111314).
  • 34
    • 85038906832 scopus 로고    scopus 로고
    • Due to the existence of slowly decaying surface states near the Fermi energy, we also had to use a very small value (0.0005 Ry) of the Gaussian smearing parameter to calculate the IP of the ideal surface. Larger values of the smearing parameter give rise to an unphysical linear dependence of the IP on the slab thickness (due to an incorrect relative filling of extended and surface states)
    • Due to the existence of slowly decaying surface states near the Fermi energy, we also had to use a very small value (0.0005 Ry) of the Gaussian smearing parameter to calculate the IP of the ideal surface. Larger values of the smearing parameter give rise to an unphysical linear dependence of the IP on the slab thickness (due to an incorrect relative filling of extended and surface states).
  • 39
    • 85038970990 scopus 로고    scopus 로고
    • Actually, the surface examined in Ref., is a (formula presented) geometry, with alternate left and right buckled dimers, which is a superstructure of the (formula presented) reconstruction examined here. The effect of the interaction between the dimers, however, is known to be very small (Ref
    • Actually, the surface examined in Ref. 36 is a (formula presented) geometry, with alternate left and right buckled dimers, which is a superstructure of the (formula presented) reconstruction examined here. The effect of the interaction between the dimers, however, is known to be very small (Ref. 36).
  • 43
    • 4243943295 scopus 로고    scopus 로고
    • We have also calculated the IP’s of the ideal (100) and (111) surfaces within the generalized gradient approximation (GGA), using the Perdew-Burke-Ernzerhof functional [, and, The GGA corrections were found to rigidly shift the LDA IP’s downward by 0.12 eV and to reduce the LDA work functions by 0.15 eV
    • We have also calculated the IP’s of the ideal (100) and (111) surfaces within the generalized gradient approximation (GGA), using the Perdew-Burke-Ernzerhof functional [J P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett.77, 3865 (1996)]. The GGA corrections were found to rigidly shift the LDA IP’s downward by 0.12 eV and to reduce the LDA work functions by 0.15 eV.
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.