We present a novel computational method for finding the concentration profile which minimizes the elastic energy stored in heteroepitaxial islands. Based on a suitable combination of continuum elasticity theory and configurational Monte Carlo, we show that such profiles can be readily found by a simple, yet fully self-consistent, iterative procedure. We apply the method to SiGe/Si islands, considering realistic three-dimensional shapes (pyramids, domes and barns), finding strongly non-uniform distributions of Si and Ge atoms, in qualitative agreement with several experiments. Moreover, our simulated selective-etching profiles display, in some cases, a remarkable resemblance to the experimental ones, opening intriguing questions on the interplay between kinetic, entropic and elastic effects. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.

Gatti, R., Uhlik, F., & Montalenti, F. (2008). Intermixing in heteroepitaxial islands: fast, self-consistent calculation of the concentration profile minimizing the elastic energy. NEW JOURNAL OF PHYSICS, 10, 083039 [10.1088/1367-2630/10/8/083039].

Intermixing in heteroepitaxial islands: fast, self-consistent calculation of the concentration profile minimizing the elastic energy

GATTI, RICCARDO;MONTALENTI, FRANCESCO CIMBRO MATTIA
2008-08

Abstract

We present a novel computational method for finding the concentration profile which minimizes the elastic energy stored in heteroepitaxial islands. Based on a suitable combination of continuum elasticity theory and configurational Monte Carlo, we show that such profiles can be readily found by a simple, yet fully self-consistent, iterative procedure. We apply the method to SiGe/Si islands, considering realistic three-dimensional shapes (pyramids, domes and barns), finding strongly non-uniform distributions of Si and Ge atoms, in qualitative agreement with several experiments. Moreover, our simulated selective-etching profiles display, in some cases, a remarkable resemblance to the experimental ones, opening intriguing questions on the interplay between kinetic, entropic and elastic effects. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.
Articolo in rivista - Articolo scientifico
epitaxy, intermixing, Monte Carlo, FEM
English
083039
Gatti, R., Uhlik, F., & Montalenti, F. (2008). Intermixing in heteroepitaxial islands: fast, self-consistent calculation of the concentration profile minimizing the elastic energy. NEW JOURNAL OF PHYSICS, 10, 083039 [10.1088/1367-2630/10/8/083039].
Gatti, R; Uhlik, F; Montalenti, F
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/10281/6205
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