Growth mechanism of Si dimer rows on Si(001)

Book · Tue Dec 31 00:00:00 EST 1996

OSTI ID:488995

Yamasaki, T; Uda, T; Terakura, K ^[1]

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1. Joint Research Center for Atom Technology, Tsukuba, Ibaraki (Japan)

Initial processes of Si dimer row growth on Si(001) surface is studied by the first principles molecular dynamics method. The authors optimize several different ad-Si clusters composed of one to four atoms on the surface and estimate activation energies for some important growth processes. At lower temperatures, a metastable ad-Si dimer in the trough between substrate dimer rows attracts monomers and tends to grow into a short diluted-dimer row in the perpendicular direction to the substrate dimer rows. In high temperatures as ad-Si dimers can diffuse, a direct dimer condensation process is possible to elongate the dense-dimer rows also in the perpendicular direction.

• Sponsoring Organization: New Energy and Industrial Technology Development Organization, Tokyo (Japan)
• OSTI ID: 488995
• Report Number(s): CONF-951155-; ISBN 1-55899-311-8; TRN: IM9728%%186
• Resource Relation: Conference: Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 27 Nov - 1 Dec 1995; Other Information: PBD: 1996; Related Information: Is Part Of Materials theory, simulations, and parallel algorithms; Kaxiras, E. [ed.] [Harvard Univ., Cambridge, MA (United States)]; Joannopoulos, J. [ed.] [Massachusetts Inst. of Tech., Cambridge, MA (United States)]; Vashishta, P.; Kalia, R.K. [eds.] [Louisiana State Univ., Baton Rouge, LA (United States)]; PB: 627 p.; Materials Research Society symposium proceedings, Volume 408
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
SILICON
EPITAXY
CRYSTAL GROWTH
SUBSTRATES
CALCULATION METHODS
THEORETICAL DATA
DIMERS
CRYSTAL STRUCTURE