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Modelling of the growth of nitrides in ammonia rich environment

Stanisław Krukowski 1,3Pawel Kempisty 1,2Pawel Strak 2

1. Polish Academy of Sciences, Institute of High Pressure Physics (UNIPRESS), Sokolowska 29/37, Warszawa 01-142, Poland
2. Warsaw University of Technology, Faculty of Physics, Koszykowa 75, Warszawa 00-662, Poland
3. Warsaw University, Interdisciplinary Centre for Materials Modelling (ICMM), Pawinskiego 5a, Warszawa 02-106, Poland


Nitride epitaxy methods can be divided into two categories: plasma-activated and ammonia sources of active nitrogen. The first is essentially limited to PA-MBE, which has relatively limited use at present. The method was analyzed using ab-initio approach by Neugebauer et al [1]. It was shown that the growth occurs in Ga-rich environment, allowing effective surface diffusion of nitrogen adatoms.

Ammonia-based variants of nitride growth include: ammonia-MBE, MOVPE, HVPE and also ammonothermal methods. They constitute dominant portion of nitride epitaxy and considerable portion of the growth of bulk nitrides. In all these methods growth occurs in highly dominant nitrogen-rich environment.

Ammonia based methods have not been analyzed using ab initio metods in much detail. Recently it was shown however, that the state GaN(0001) surface is opposite to PA MBE method [2] -the GaN(0001) surface remains in nitrogen rich state.

The results of the ab initio calculations and their consequences to the basic growth processes: adsorption, desorption and surface diffusion of the growth controlling species: Ga, Al and In will be discussed. Their influence on the Al and In segregation related to surface morphology and growth mechanism will be analyzed.

[1] Neugebauer J., Zywietz-TK, Scheffler-M, Northrup-JE, Huajie-Chen, Feenstra-RM, Physical-Review-Letters. 7 Feb. 2003; 90(5): 056101/1-4

[2] Kempisty P. Krukowski S. Journal of Crystal Growth 2007, doi:10.11016/j.jcrysgro.2006. 12057


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Presentation: Oral at Joint Fith International Conference on Solid State Crystals & Eighth Polish Conference on Crystal Growth, by Stanisław Krukowski
See On-line Journal of Joint Fith International Conference on Solid State Crystals & Eighth Polish Conference on Crystal Growth

Submitted: 2007-02-16 12:10
Revised:   2009-06-07 00:44