A morphological study of vicinal surface growth based on a hybrid algorithm

被引:14
作者
Kundin, J. [1 ]
Emmerich, H.
机构
[1] Rhein Westfal TH Aachen, Inst Minerals Engn GHI, Ctr Computat Engn Sci, D-52056 Aachen, Germany
[2] Rhein Westfal TH Aachen, Julich Aachen Res Alliance, D-52056 Aachen, Germany
关键词
D O I
10.1140/epjb/e2008-00208-8
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
A hybrid algorithm that combines a phase-field model and a lattice gas model evolving according to a kinetic Monte-Carlo (KMC) simulation scheme is used to investigate the dynamics of vicinal surface growth during vapor phase epitaxy. The algorithm is computationally far more efficient than pure KMC schemes, and this gain in efficiency does not correspond to a loss in information on the kinetics of individual atoms. We present numerical studies on the temperature dependence of macroscopic properties of the growing surface, evaluating the relevant stochastic processes (attachment, detachment, diffusion and island dynamics) as a function of their rates. We show that the temperature at which step flow is replaced by island nucleation depends on incoming flux, diffusion parameters and interstep distance. Moreover, we validate these finding by comparison to experiments and by analytical investigations.
引用
收藏
页码:25 / 36
页数:12
相关论文
共 45 条
[1]   Self-consistent rate theory of submonolayer homoepitaxy with attachment/detachment kinetics [J].
Bales, GS ;
Zangwill, A .
PHYSICAL REVIEW B, 1997, 55 (04) :R1973-R1976
[2]  
BINDER K, 2002, MC SIMULATION STAT P
[3]   NEW ALGORITHM FOR MONTE-CARLO SIMULATION OF ISING SPIN SYSTEMS [J].
BORTZ, AB ;
KALOS, MH ;
LEBOWITZ, JL .
JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 17 (01) :10-18
[4]   THE GROWTH OF CRYSTALS AND THE EQUILIBRIUM STRUCTURE OF THEIR SURFACES [J].
BURTON, WK ;
CABRERA, N ;
FRANK, FC .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 243 (866) :299-358
[5]   Multiscale diffusion Monte Carlo simulation of epitaxial growth [J].
Chou, Chuan-Chih ;
Falk, Michael L. .
JOURNAL OF COMPUTATIONAL PHYSICS, 2006, 217 (02) :519-529
[6]   ON PARTIAL DIFFERENCE EQUATIONS OF MATHEMATICAL PHYSICS [J].
COURANT, R ;
FRIEDRICHS, K ;
LEWY, H .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1967, 11 (02) :215-+
[7]   DIRECT OBSERVATION OF INDIVIDUAL ATOMS ON METALS [J].
EHRLICH, G .
SURFACE SCIENCE, 1977, 63 (01) :422-447
[8]   Microstructure morphology transitions at mesoscopic epitaxial surfaces [J].
Emmerich, H ;
Eck, C .
CONTINUUM MECHANICS AND THERMODYNAMICS, 2006, 17 (05) :373-386
[9]   Morphology transitions at vicinal Cu surfaces based on entropic step-step interaction and diffusion along steps [J].
Emmerich, H .
PHYSICAL REVIEW B, 2002, 65 (23) :1-4
[10]   Modeling elastic effects in epitaxial growth - Stress induced instabilities of epitaxially grown surfaces [J].
Emmerich, H .
CONTINUUM MECHANICS AND THERMODYNAMICS, 2003, 15 (02) :197-215