The stress induced diffusion process of In-Ga segregation in In_xGa_1-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.

• Legal notice:
  

  Copyright (c) Pielaszek Research, all rights reserved.
  The above materials, including auxiliary resources, are subject to Publisher's copyright and the Author(s) intellectual rights. Without limiting Author(s) rights under respective Copyright Transfer Agreement, no part of the above documents may be reproduced without the express written permission of Pielaszek Research, the Publisher. Express permission from the Author(s) is required to use the above materials for academic purposes, such as lectures or scientific presentations.
  In every case, proper references including Author(s) name(s) and URL of this webpage: https://science24.com/paper/7968 must be provided.

1. Investigation of InN layers grown by molecular beam epitaxy on Si or GaN templates
2. Structural properties of InAlN thin layers for HEMT applications
3. Low frequency noise measurements in InN films
4. The microstructure and properties of InN layers
5. Role of threading dislocations on Indium distribution in InGaN alloys
6. Optical properties of InN grown on Si(111) substrate
7. Microstructure of InN grown on Si (111) by plasma-assisted MBE using a double buffer layer
8. Ferromagnetism in transition-metal doped ZnS
9. Electronic and magnetic properties of Co-doped ZnO: first principles study
10. Molecular statics simulation of nanoindentation on nanocrystalline copper
11. Method of Manganese co-doping of LT ZnO films
12. Formation of precipitates in Mn doped ZnO layers deposited by magnetron sputtering
13. The structure of nucleation Zn(Al)O layers for transparent metal oxide application
14. First-principles calculations of the optical band-gap properties of Mg_1-xZn_xO alloys
15. Theoretical studies of ZnS_1-xO_x alloy band structures
16. Strain Relaxation Effect on the Properties of Ultra Thin ZnO Film on Sapphire (0001) Substrates by Pulsed Laser Deposition
17. Low and high indium fluctuation in MOCVD grown InGaN/GaN as determined by quantitative HRTEM
18. Structural properties of quaternary InAlGaN MQWs grown by plasma-assisted MBE
19. A hybrid atomistic-continuum finite element modelling of locally disordered crystalline structure
20. Finite element modelling of nonlinear elastic and piezoelectric properties of InN and InGaN QDs
21. Structural analysis of the behaviour of the ultrathin AlN capping layer interface during the RE implantation and annealing of GaN for electroluminescence applications
22. Energy and electronic structure of gallium and nitrogen interstitials in GaN Tilt Boundaries
23. Investigation of InN layers grown by MOCVD and MBE using analytical and high resolution TEM
24. Interfacial diffusion and precipitation in rf magnetron sputtered Mn doped ZnO layers
25. The atomic configuration of tilt grain boundaries around <0001> in GaN
26. Ab-initio tight-binding study of the core structures of the c edge dislocation in wurtzite GaN
27. First principles study of electronic structure of InN and AlN substitution atomic layers embedded in GaN
28. Full-potential study of d-electrons effects on the electronic structure of wurtzite and zinc-blende InN
29. Image processing of HREM micrograph for determination size distribution of Co nanocrystals in Cu matrix
30. Quantitative study of Cd atoms distribution in CdTe/ZnTe quantum dots superlattice by HRTEM
31. The atomic structure of defects formed during doping of GaN with rare earth ions
32. Transmission electron microscopy structural investigations of Tm implanted GaN
33. Study of photo- and electro-luminescence related with Er³⁺ ions in GaN:Er
34. Quantitative transmission electron microscopy investigation of localised stress in heterostructures
35. Modelling of indium rich clusters in MOCVD InGaN/GaN multilayers