메뉴 건너뛰기




Volumn 81, Issue 3, 2010, Pages

Density functional theory study of Pt-induced Ge(001) reconstructions

Author keywords

[No Author keywords available]

Indexed keywords


EID: 77954827657     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.035333     Document Type: Article
Times cited : (16)

References (31)
  • 9
    • 14044261166 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.70.233312
    • J. Wang, M. Li, and E. I. Altman, Phys. Rev. B 70, 233312 (2004). 10.1103/PhysRevB.70.233312
    • (2004) Phys. Rev. B , vol.70 , pp. 233312
    • Wang, J.1    Li, M.2    Altman, E.I.3
  • 10
    • 27744495597 scopus 로고    scopus 로고
    • 10.1016/j.susc.2005.09.009
    • J. Wang, M. Li, and E. I. Altman, Surf. Sci. 596, 126 (2005). 10.1016/j.susc.2005.09.009
    • (2005) Surf. Sci. , vol.596 , pp. 126
    • Wang, J.1    Li, M.2    Altman, E.I.3
  • 11
    • 46149121501 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.241308
    • D. E. P. Vanpoucke and G. Brocks, Phys. Rev. B 77, 241308 (R) (2008). 10.1103/PhysRevB.77.241308
    • (2008) Phys. Rev. B , vol.77 , pp. 241308
    • Vanpoucke, D.E.P.1    Brocks, G.2
  • 13
    • 25744460922 scopus 로고
    • 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 14
    • 0011236321 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 16
    • 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
  • 17
  • 18
  • 23
    • 77954828059 scopus 로고    scopus 로고
    • For the sake of simplicity and ease of writing we refer to any bound atom pair on the surface and in its top layer as a dimer, even if it consists of two different atoms. If the atom types are important we will refer to the dimer as an X-Y dimer, with X and Y its constituent atoms. Also a shorter notation will be used where the term "Ge dimers" is used to refer to Ge-Ge dimers and Pt the term "Pt dimers" is used to refer to dimers containing at least 1 Pt atom. For the latter it will follow from the context if this refers to Pt-Ge dimers or Pt-Pt dimers.
    • For the sake of simplicity and ease of writing we refer to any bound atom pair on the surface and in its top layer as a dimer, even if it consists of two different atoms. If the atom types are important we will refer to the dimer as an X - Y dimer, with X and Y its constituent atoms. Also a shorter notation will be used where the term "Ge dimers" is used to refer to Ge-Ge dimers and Pt the term "Pt dimers" is used to refer to dimers containing at least 1 Pt atom. For the latter it will follow from the context if this refers to Pt-Ge dimers or Pt-Pt dimers.
  • 24
    • 77954832968 scopus 로고    scopus 로고
    • Note that the u and d index only indicate the position in the Ge(001) reconstruction geometry and tells nothing about the relative z position of the Pt atoms with regard to the Ge atom in the specific Pt-Ge dimer.
    • Note that the u and d index only indicate the position in the Ge(001) reconstruction geometry and tells nothing about the relative z position of the Pt atoms with regard to the Ge atom in the specific Pt-Ge dimer.
  • 26
    • 33744607543 scopus 로고
    • 10.1103/PhysRevB.31.805
    • J. Tersoff and D. R. Hamann, Phys. Rev. B 31, 805 (1985). 10.1103/PhysRevB.31.805
    • (1985) Phys. Rev. B , vol.31 , pp. 805
    • Tersoff, J.1    Hamann, D.R.2
  • 27
    • 77954829630 scopus 로고    scopus 로고
    • Ph. D. thesis University of Twente
    • O. Gürlü, Ph. D. thesis, University of Twente (2004).
    • (2004)
    • Gürlü, O.1
  • 29
    • 77954825196 scopus 로고    scopus 로고
    • The zero, or nearly zero, band gap for germanium is a known failure of LDA. Although a band gap can be opened using for example the GW method, it is not necessary for the qualitative comparison we are making here.
    • The zero, or nearly zero, band gap for germanium is a known failure of LDA. Although a band gap can be opened using for example the GW method, it is not necessary for the qualitative comparison we are making here.
  • 31
    • 0037137924 scopus 로고    scopus 로고
    • 10.1016/S0039-6028(01)01675-2
    • X. Zeng and H. E. Elsayed-Ali, Surf. Sci. 497, 373 (2002). 10.1016/S0039-6028(01)01675-2
    • (2002) Surf. Sci. , vol.497 , pp. 373
    • Zeng, X.1    Elsayed-Ali, H.E.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.