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Title: Monte Carlo simulations of the growth of diamond-structure semiconductors and surface-reflected electron-beam intensities during molecular-beam epitaxy

Abstract

Monte Carlo simulation results are presented for the growth by molecular-beam epitaxy (MBE) of diamond-structure semiconductors on both specular (001) surfaces and surfaces misoriented by up to 2/sup 0/ from (001) toward (110). The simulation includes calculation of the topography and reconstruction of the surface. Based on the resulting surface structures the streak profile and peak intensity of specularly reflected electron beams are calculated using a kinematic scattering approximation. The results confirm models proposed to explain oscillations observed in the intensity of beams of electrons specularly reflected from terraced surfaces parallel to the terrace edges during MBE. Small clusters of atoms are shown to nucleate on the surface of the terraces and gradually become incorporated into the terrace edges as growth proceeds. On specular surfaces, nucleation occurs randomly followed by growth and coalescence of islands. Stable, statistically random, surface structures are shown to develop leading to an increase in the root-mean-squared roughness of the surface with increasing time. These structures result in a gradual damping of oscillations in the specularly reflected electron beam intensities. The damping rate decreases with increasing surface diffusion and decreasing surface roughness. The strongly bound atomic dimers present on (2 x 1)-reconstructed diamond-lattice (001) surfaces aremore » shown to influence surface diffusion and hence the critical size for nucleation of new surface layers.« less

Authors:
Publication Date:
Research Org.:
Departments of Materials Science and Engineering, The Materials Research Laboratory, and The Coordinated Science Laboratory, University of Illinois, Urbana, Illinois 61801
OSTI Identifier:
5288408
DOE Contract Number:  
AC02-76ER01198
Resource Type:
Journal Article
Journal Name:
J. Vac. Sci. Technol., B; (United States)
Additional Journal Information:
Journal Volume: 6:2
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; MOLECULAR BEAM EPITAXY; SIMULATION; SEMICONDUCTOR MATERIALS; NUCLEATION; TOPOGRAPHY; ATOM TRANSPORT; CRYSTAL STRUCTURE; DIFFUSION; ELECTRON BEAMS; ELECTRON DIFFRACTION; MATHEMATICAL MODELS; MICROSTRUCTURE; MONTE CARLO METHOD; ROUGHNESS; THIN FILMS; BEAMS; COHERENT SCATTERING; DIFFRACTION; EPITAXY; FILMS; LEPTON BEAMS; MATERIALS; NEUTRAL-PARTICLE TRANSPORT; PARTICLE BEAMS; RADIATION TRANSPORT; SCATTERING; SURFACE PROPERTIES; 360601* - Other Materials- Preparation & Manufacture; 360602 - Other Materials- Structure & Phase Studies; 360603 - Materials- Properties

Citation Formats

Rockett, A. Monte Carlo simulations of the growth of diamond-structure semiconductors and surface-reflected electron-beam intensities during molecular-beam epitaxy. United States: N. p., 1988. Web. doi:10.1116/1.584368.
Rockett, A. Monte Carlo simulations of the growth of diamond-structure semiconductors and surface-reflected electron-beam intensities during molecular-beam epitaxy. United States. https://doi.org/10.1116/1.584368
Rockett, A. Tue . "Monte Carlo simulations of the growth of diamond-structure semiconductors and surface-reflected electron-beam intensities during molecular-beam epitaxy". United States. https://doi.org/10.1116/1.584368.
@article{osti_5288408,
title = {Monte Carlo simulations of the growth of diamond-structure semiconductors and surface-reflected electron-beam intensities during molecular-beam epitaxy},
author = {Rockett, A},
abstractNote = {Monte Carlo simulation results are presented for the growth by molecular-beam epitaxy (MBE) of diamond-structure semiconductors on both specular (001) surfaces and surfaces misoriented by up to 2/sup 0/ from (001) toward (110). The simulation includes calculation of the topography and reconstruction of the surface. Based on the resulting surface structures the streak profile and peak intensity of specularly reflected electron beams are calculated using a kinematic scattering approximation. The results confirm models proposed to explain oscillations observed in the intensity of beams of electrons specularly reflected from terraced surfaces parallel to the terrace edges during MBE. Small clusters of atoms are shown to nucleate on the surface of the terraces and gradually become incorporated into the terrace edges as growth proceeds. On specular surfaces, nucleation occurs randomly followed by growth and coalescence of islands. Stable, statistically random, surface structures are shown to develop leading to an increase in the root-mean-squared roughness of the surface with increasing time. These structures result in a gradual damping of oscillations in the specularly reflected electron beam intensities. The damping rate decreases with increasing surface diffusion and decreasing surface roughness. The strongly bound atomic dimers present on (2 x 1)-reconstructed diamond-lattice (001) surfaces are shown to influence surface diffusion and hence the critical size for nucleation of new surface layers.},
doi = {10.1116/1.584368},
url = {https://www.osti.gov/biblio/5288408}, journal = {J. Vac. Sci. Technol., B; (United States)},
number = ,
volume = 6:2,
place = {United States},
year = {1988},
month = {3}
}