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Monte Carlo simulations of 4H-SiC crystals sublimation from the stepped (0001) surface

Filip Krzyzewski 1Magdalena A. Zaluska-Kotur 1,2

1. Polish Academy of Sciences, Institute of Physics, al. Lotników 32/46, Warszawa 02-668, Poland
2. Cardinal Stefan Wyszynski University, Faculty of Mathematics and Natural Sciences, Dewajtis 5, Warszawa 01815, Poland

Abstract

We present the new kinetic Monte Carlo model of 4H-SiC crystals (0001) plane. The model consists of two species of atoms which form alternate layers of silicon and carbon building SiC double layers. Three different bonds are considered. The strongest one between silicon and carbon atoms binds nearest neighbors (NN) of a lattice, weaker one apears between two carbon atoms and the weakest one binds to Si atoms. C-C and Si-Si bonds connect next nearest neighbors (NNN) of a lattice. Every atom can form up to 4 NN bonds and 12 NNN bonds. Bonds of atoms forming consecutive double layers are rotated relative each other. Directions of those interactions are chosen in order to obtain ABAC stack of 4H politype. The model can be used to simulate growth and etchnig at both silicon and carbon faces of SiC. Moreover it can by easily transformed into simulations of other politypes formed by silicon carbide crystals.

Here we present results obtained during simulations of 4H silicon carbide sublimation at misoriented (0001) plane. Depending on the parameters of simulations we obtain step bunches, step trains, fourfold steps, waves and other surface structures observed during experiments. We show, that the type of structures at the surface affects the speed of etching. Despite higher desorption rates of silicon, evoporation at the surface with bunches is slower in comparison with waved surface and lower rate of individual Si adatoms desorption. We also show different surface structures obtained during simulations at diffrent etching conditions and present phase diagram of these structures.

 

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Related papers

Presentation: Oral at 17th International Conference on Crystal Growth and Epitaxy - ICCGE-17, General Session 9, by Filip Krzyzewski
See On-line Journal of 17th International Conference on Crystal Growth and Epitaxy - ICCGE-17

Submitted: 2013-03-22 16:31
Revised:   2013-04-03 10:56