메뉴 건너뛰기




Volumn 365, Issue 2, 1996, Pages 383-393

Arsenic adatom structures for Ge(111) and Si(111) surfaces: First-principles calculations

Author keywords

Adatoms; Arsenic; Density functional calculations; Germanium; Silicon; Surface energy; Surface relaxation and reconstruction; Surface structure, morphology, roughness, and topography

Indexed keywords

ADSORPTION; ARSENIC; ATOMS; CALCULATIONS; GERMANIUM; INTERFACIAL ENERGY; SILICON;

EID: 0030243347     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00722-4     Document Type: Article
Times cited : (4)

References (25)
  • 1
    • 0000503657 scopus 로고
    • J.M. Nicholls, B. Reihl and J.E. Northrup, Phys. Rev. B 35 (1987) 4137; A. Kawazu and H. Sakama, Phys. Rev. B 37 (1988) 2704; J. Zegenhagen, J.R, Patel, P. Freeland, D.M. Chen, J.A. Golovchenko, P. Bedrossian and J.E. Northrup, Phys. Rev. B 39 (1989) 1298.
    • (1987) Phys. Rev. B , vol.35 , pp. 4137
    • Nicholls, J.M.1    Reihl, B.2    Northrup, J.E.3
  • 2
    • 0001654236 scopus 로고
    • J.M. Nicholls, B. Reihl and J.E. Northrup, Phys. Rev. B 35 (1987) 4137; A. Kawazu and H. Sakama, Phys. Rev. B 37 (1988) 2704; J. Zegenhagen, J.R, Patel, P. Freeland, D.M. Chen, J.A. Golovchenko, P. Bedrossian and J.E. Northrup, Phys. Rev. B 39 (1989) 1298.
    • (1988) Phys. Rev. B , vol.37 , pp. 2704
    • Kawazu, A.1    Sakama, H.2
  • 11
    • 0006234521 scopus 로고
    • There are experimental observations of the (√3 × √3)R30° adatom structure of Bi adatoms on the Si(111) surface, with 1 ML coverage of Bi. This (√3 × √3)R30° structure is different from the T4 structure we consider in this paper. See: K.J. Wan, T. Guo, W.K. Ford and J.C. Hermanson, Phys. Rev. B 44 (1991) 3471; R. Shioda, A. Kawazu, A.A. Baski, C.F. Quate, and J. Nogami, Phys. Rev. B 48 (1993) 4895.
    • (1991) Phys. Rev. B , vol.44 , pp. 3471
    • Wan, K.J.1    Guo, T.2    Ford, W.K.3    Hermanson, J.C.4
  • 12
    • 0001243289 scopus 로고
    • There are experimental observations of the (√3 × √3)R30° adatom structure of Bi adatoms on the Si(111) surface, with 1 ML coverage of Bi. This (√3 × √3)R30° structure is different from the T4 structure we consider in this paper. See: K.J. Wan, T. Guo, W.K. Ford and J.C. Hermanson, Phys. Rev. B 44 (1991) 3471; R. Shioda, A. Kawazu, A.A. Baski, C.F. Quate, and J. Nogami, Phys. Rev. B 48 (1993) 4895.
    • (1993) Phys. Rev. B , vol.48 , pp. 4895
    • Shioda, R.1    Kawazu, A.2    Baski, A.A.3    Quate, C.F.4    Nogami, J.5
  • 21
    • 0002862146 scopus 로고
    • The definition of the adsorption energy using the energy of the isolated adatoms is only one possible choice of many. For example, in the paper by Biegelsen et al. (D.K. Biegelsen, R.D. Bringans, J.E. Northrup, M.C. Schabel and L.-E. Swartz, Phys. Rev. B 47 (1993) 9589). They use the energy of bulk As instead to study As termination of the Si(110) surface, and discuss the variation of the surface energy with respect to different As chemical potentials, i.e. different possible choices.
    • (1993) Phys. Rev. B , vol.47 , pp. 9589
    • Biegelsen, D.K.1    Bringans, R.D.2    Northrup, J.E.3    Schabel, M.C.4    Swartz, L.-E.5
  • 23
    • 0042867920 scopus 로고    scopus 로고
    • Note that all energies in the present work are given with respect to ideal (1×1) surface
    • Note that all energies in the present work are given with respect to ideal (1×1) surface.
  • 24
    • 0042867922 scopus 로고    scopus 로고
    • For estimating the surface energy of the clean reconstructed surface, we use the same assumption as in Ref. [10], viz. that it can be approximated by the results obtained on the 2×2 surface cells. From Table II in Ref. [19], the best 8 Ry results for Ge and 12 Ry for Si, one gets -0.20 eV per (1 × 1) cell of Ge (= 1.20-1.40), and -0.27eV per (1 × 1) cell of Si (=1.12-1.39). (Note that all energies in the present work are given with respect to ideal (1×1) surface.) The phase-separation energy evaluated for As on Si(111) in Ref. [10] was based on the less precise value of surface energy -0.21 eV per (1×1) cell of Si which was obtained with the 8 Ry cut-off
    • For estimating the surface energy of the clean reconstructed surface, we use the same assumption as in Ref. [10], viz. that it can be approximated by the results obtained on the 2×2 surface cells. From Table II in Ref. [19], the best 8 Ry results for Ge and 12 Ry for Si, one gets -0.20 eV per (1 × 1) cell of Ge (= 1.20-1.40), and -0.27eV per (1 × 1) cell of Si (=1.12-1.39). (Note that all energies in the present work are given with respect to ideal (1×1) surface.) The phase-separation energy evaluated for As on Si(111) in Ref. [10] was based on the less precise value of surface energy -0.21 eV per (1×1) cell of Si which was obtained with the 8 Ry cut-off.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.