Ab initio study of the epitaxial growth of Ge on Si(100) surface

Title: Ab initio study of the epitaxial growth of Ge on Si(100) surface

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Abstract

We identify the binding sites for adsorption of a single Ge atom on the Si(100) surface using ab initio total energy calculations. The calculated diffusion barriers are in excellent agreement with experimental estimates. Using a large supercell we resolve the controversy regarding the binding geometry and migration path for the adatom, and investigate the influence of the adatom on the buckling of Si dimers. The adatom induces a buckling defect that is frequently observed using scanning tunneling microscopy (STM); therefore the study of single adatoms may be experimentally accessible.

Authors:

Milman, V; Pennycook, S J; Jesson, D E ^[1]; Payne, M C; Stich, I ^[2]

Oak Ridge National Lab., TN (United States)
Cambridge Univ. (United Kingdom). Dept. of Physics

Publication Date:: 1993-11-01

Research Org.:: Oak Ridge National Lab., TN (United States)

Sponsoring Org.:: USDOE, Washington, DC (United States)

OSTI Identifier:: 10126393

Report Number(s):: CONF-931108-83
ON: DE94007245

DOE Contract Number:: AC05-84OR21400

Resource Type:: Conference

Resource Relation:: Conference: Fall meeting of the Materials Research Society (MRS),Boston, MA (United States),29 Nov - 3 Dec 1993; Other Information: PBD: Nov 1993

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; GERMANIUM; EPITAXY; ADSORPTION; SILICON; SORPTIVE PROPERTIES; SURFACES; 360606; PHYSICAL PROPERTIES

Citation Formats


                    Milman, V, Pennycook, S J, Jesson, D E, Payne, M C, and Stich, I. Ab initio study of the epitaxial growth of Ge on Si(100) surface.  United States: N. p., 1993. 
        Web.

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                    Milman, V, Pennycook, S J, Jesson, D E, Payne, M C, & Stich, I. Ab initio study of the epitaxial growth of Ge on Si(100) surface.  United States.

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                    Milman, V, Pennycook, S J, Jesson, D E, Payne, M C, and Stich, I. Mon .  
        "Ab initio study of the epitaxial growth of Ge on Si(100) surface".  United States.  https://www.osti.gov/servlets/purl/10126393.

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@article{osti_10126393,

  title        = {Ab initio study of the epitaxial growth of Ge on Si(100) surface},

  author       = {Milman, V and Pennycook, S J and Jesson, D E and Payne, M C and Stich, I},

  abstractNote = {We identify the binding sites for adsorption of a single Ge atom on the Si(100) surface using ab initio total energy calculations. The calculated diffusion barriers are in excellent agreement with experimental estimates. Using a large supercell we resolve the controversy regarding the binding geometry and migration path for the adatom, and investigate the influence of the adatom on the buckling of Si dimers. The adatom induces a buckling defect that is frequently observed using scanning tunneling microscopy (STM); therefore the study of single adatoms may be experimentally accessible.},

  doi          = {},

  url          = {https://www.osti.gov/biblio/10126393},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {1993},

  month        = {11}

}

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