Monte Carlo simulation of thin film growth on Si surfaces

Abstract Monte Carlo simulations of homoepitaxial growth on Si(100) surfaces by molecular beam epitaxy are reviewed. First some characteristics of Si(100) surfaces are pointed out. To include the important characteristics of the growth, the events needed to be taken into account in the simulations are described, i.e., the arrival of atoms, diffusion of atoms on the surface, dimer formation and the dimer flip and the desorption events. Two Monte Carlo methods with different lattice configurations are used in the simulations. One is that takes acount of a diamond-type structure and the other is that takes acount of a simple cubic lattice structure. The probability of each event is given phenomenologically based on the observed experimental results and molecular dynamics calculations. Based on the results of the simulations, the typical growth kinetics and the surface morphologies during the growth are discussed to point out the characteristic behaviors of the thin film growth on Si(100). The recovery process and the annealing process of the surface after the growth are then discussed. The growth simulations on vicinal Si(100) surfaces are also studied with the emphasis on the role of steps and two different types of steps. Some conspicuous effects observed on the vicinal surfaces are discussed.

[1]  P. Maksym.  Fast Monte Carlo simulation of MBE growth , 1988 .

[2]  D. Vvedensky,et al.  Monolayer to bilayer transition in reflection high‐energy electron diffraction intensity oscillations during Si(001) molecular beam epitaxy , 1989 .

[3]  Studies on RHEED oscillations at low glancing angles , 1992 .

[4]  T. Tatsumi,et al.  In situ RHEED observation of selective diminution at Si(001)-2 × 1 superlattice spots during MBE , 1986 .

[5]  Kawamura,et al.  Step stability, domain coverage, and nonequilibrium kinetics in Si(001) molecular-beam epitaxy. , 1990, Physical review. B, Condensed matter.

[6]  G. Hashiguchi,et al.  RHEED-intensity oscillations of alternating surface reconstructions during Si MBE growth on single-domain Si(001)-2×1 surface , 1987 .

[7]  Clarke,et al.  Growth mechanism for molecular-beam epitaxy of group-IV semiconductors. , 1988, Physical review. B, Condensed matter.

[8]  T. Kuroda,et al.  Periodic changes in the structure of a surface growing under MBE conditions and RHEED oscillation , 1991 .

[9]  K. Yagi,et al.  Preferential Diffusion of Vacancies Perpendicular to the Dimers on Si(001)2×1 Surfaces Studied by UHV REM , 1989 .

[10]  Tsao,et al.  Dimer strings, anisotropic growth, and persistent layer-by-layer epitaxy. , 1989, Physical review. B, Condensed matter.

[11]  Carson,et al.  Computer simulation studies of the growth of strained layers by molecular-beam epitaxy. , 1990, Physical review. B, Condensed matter.

[12]  T. Sakamoto,et al.  Intensity oscillations of reflection high‐energy electron diffraction during silicon molecular beam epitaxial growth , 1985 .

[13]  Chadi Dj,et al.  Stabilities of single-layer and bilayer steps on Si(001) surfaces. , 1987 .

[14]  Hamers,et al.  Si(001) Dimer structure observed with scanning tunneling microscopy. , 1985, Physical review letters.

[15]  Anisotropic kinetics and bilayer epitaxial growth of Si(001). , 1989, Physical review. B, Condensed matter.

[16]  B. Joyce,et al.  On the RHEED specular beam and its intensity oscillation during MBE growth of GaAs , 1990 .

[17]  R. Needs,et al.  Total energy calculations of dimer reconstructions on the silicon (001) surface , 1990 .

[18]  J. Joannopoulos,et al.  Total energy and stress of metal and semiconductor surfaces , 1989 .

[19]  D. Brenner,et al.  MICROSCOPIC MECHANISMS OF REACTIONS ASSOCIATED WITH SILICON MBE: A MOLECULAR DYNAMICS INVESTIGATION , 1988 .

[20]  A. Rockett,et al.  Monte Carlo simulations of Si(001) growth and reconstruction during molecular beam epitaxy , 1988 .

[21]  R. Wolkow,et al.  Direct observation of an increase in buckled dimers on Si(001) at low temperature. , 1992, Physical review letters.

[22]  T. Kawamura,et al.  Transient growth in molecular beam epitaxy of Si on Si(100) vicinal surfaces , 1993 .

[23]  M. Ichikawa,et al.  Observation of electromigration effect upon Si-MBE growth on Si(001) surface. , 1990 .

[24]  Car,et al.  Unified approach for molecular dynamics and density-functional theory. , 1985, Physical review letters.

[25]  Suzuki,et al.  Electronic structure of the single-domain Si(001)21-K surface. , 1989, Physical review. B, Condensed matter.

[26]  Kawamura,et al.  Simulation of recovery kinetics in Si(001) molecular-beam epitaxy. , 1989, Physical review. B, Condensed matter.

[27]  P. Maksym,et al.  Monte Carlo simulation of single domain Si(100) surfaces , 1991 .

[28]  P. Maksym,et al.  Surface science lettersCalculation of rheed from stepped Si(001) for interpretation of rheed oscillations during MBE , 1987 .

[29]  P. Larsen,et al.  Reflection High-Energy Electron Diffraction and Reflection Electron Imaging of Surfaces , 1989 .

[30]  P. Larsen,et al.  Observations on intensity oscillations in reflection high‐energy electron diffraction during epitaxial growth of Si(001) and Ge(001) , 1986 .

[31]  Epitaxial growth quality optimization by supercomputer , 1987 .

[32]  Webb,et al.  Si(100) surface under an externally applied stress. , 1988, Physical review letters.