FE and MD simulation of InGaN QD formation induced by stress field of threading dislocations

Paweł Dłużewski 1,  Jun Chen 2,  Gerard Nouet 1,  Amina Belkadi 3,  Huaping P. Lei 3,  Pierre Ruterana 3

1. Polish Academy of Sciences, Institute of Fundamental Technological Research (IPPT PAN), Świętokrzyska 21, Warszawa 00-049, Poland
2. Laboratoire de Recherche sur les Proprietes des Materiaux Nouveaux (LRPMN), Damigny, France
3. SIFCOM, UMR6176, CNRS-ENSICAEN, 6 Bld Maréchal Juin, Caen 14050, France

Abstract

The stress induced diffusion process of In-Ga segregation in InxGa1-xN layer deposited on GaN is simulated step by step by using a 3D nonlinear FEM. From the thermodynamical point of view this process is governed by the driving force induced by the gradient of residual stresses operating in an anisotropic nonlinear elastic structure [1]. The source of stresses we consider the set of threading dislocations examined in the plane view HRTEM investigation of GaN layer deposited on sapphire [2].

The chemical segregation obtained by FEM is used next in MD calculations based on the Stillinger-Weber potential. Since the size of the clusters is large, the cell must contain tens of thousand of atoms and only empirical potential methods are suitable to handle such large systems. The choice of the Stillinger-Weber potential is justified by the numerous results obtained with this potential for the analysis of extended defects in GaN [3]. A new parameterization has been defined by fitting to the crystallographic parameters, bulk modulus and elastic constants of InN.

Reference

[1] P.Dłużewski: Defects and Diffusion Forum (2005) 237-240, pp. 107-114.

[2] S.Kret, P.Dłużewski , G.Maciejewski, V.Potin, J.Chen, P.Ruterana and G.Nouet: Diamond and Related Materials (2002) 11, pp. 910-913

[3] N. Aichoune, V. Potin, P. Ruterana, A. Hairie, G. Nouet and E. Paumier : Comput. Mater. Sci.(2000) 17, 80.

Related papers
  1. Molecular statics simulation of nanoindentation on nanocrystalline copper
  2. Method of Manganese co-doping of LT ZnO films
  3. Formation of precipitates in Mn doped ZnO layers deposited by magnetron sputtering
  4. The structure of nucleation Zn(Al)O layers for transparent metal oxide application
  5. First-principles calculations of the optical band-gap properties of Mg1-xZnxO alloys
  6. Theoretical studies of ZnS1-xOx alloy band structures
  7. Strain Relaxation Effect on the Properties of Ultra Thin ZnO Film on Sapphire (0001) Substrates by Pulsed Laser Deposition
  8. Low and high indium fluctuation in MOCVD grown InGaN/GaN as determined by quantitative HRTEM
  9. Structural properties of quaternary InAlGaN MQWs grown by plasma-assisted MBE
  10. A hybrid atomistic-continuum finite element modelling of locally disordered crystalline structure
  11. Finite element modelling of nonlinear elastic and piezoelectric properties of InN and InGaN QDs
  12. Structural analysis of the behaviour of the ultrathin AlN capping layer interface during the RE implantation and annealing of GaN for electroluminescence applications
  13. Energy and electronic structure of gallium and nitrogen interstitials in GaN Tilt Boundaries
  14. Investigation of InN layers grown by MOCVD and MBE using analytical and high resolution TEM
  15. Interfacial diffusion and precipitation in rf magnetron sputtered Mn doped ZnO layers
  16. The atomic configuration of tilt grain boundaries around <0001> in GaN
  17. Ab-initio tight-binding study of the core structures of the c edge dislocation in wurtzite GaN
  18. First principles study of electronic structure of InN and AlN substitution atomic layers embedded in GaN
  19. Full-potential study of d-electrons effects on the electronic structure of wurtzite and zinc-blende InN
  20. Image processing of HREM micrograph for determination size distribution of Co nanocrystals in Cu matrix
  21. Quantitative study of Cd atoms distribution in CdTe/ZnTe quantum dots superlattice by HRTEM
  22. The atomic structure of defects formed during doping of GaN with rare earth ions
  23. Transmission electron microscopy structural investigations of Tm implanted GaN
  24. Study of photo- and electro-luminescence related with Er3+ ions in GaN:Er
  25. Quantitative transmission electron microscopy investigation of localised stress in heterostructures
  26. Modelling of indium rich clusters in MOCVD InGaN/GaN multilayers

Presentation: Oral at E-MRS Fall Meeting 2006, Symposium H, by Paweł Dłużewski
See On-line Journal of E-MRS Fall Meeting 2006

Submitted: 2006-05-15 19:20
Revised:   2006-05-16 13:33
Google
 
Web science24.com
© 1998-2008 pielaszek research, all rights reserved Powered by the Conference Engine