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].
Citazione: | 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]. | |
Tipo: | Articolo in rivista - Articolo scientifico | |
Carattere della pubblicazione: | Scientifica | |
Titolo: | Intermixing in heteroepitaxial islands: fast, self-consistent calculation of the concentration profile minimizing the elastic energy | |
Autori: | Gatti, R; Uhlik, F; Montalenti, F | |
Autori: | ||
Data di pubblicazione: | ago-2008 | |
Lingua: | English | |
Rivista: | NEW JOURNAL OF PHYSICS | |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1088/1367-2630/10/8/083039 | |
Appare nelle tipologie: | 01 - Articolo su rivista |