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Molecular dynamics simulation of solid phase epitaxial regrowth of amorphous Ge layers

Gabriel, A.; Posselt, M.
In Ge the regrowth of an amorphous layer formed by ion implantation occurs in a similar manner as in Si, namely by solid phase epitaxy. In most cases this process takes place in the very first stage of annealing before dopant diffusion and activation. In the present work the solid phase epitaxial regrowth (SPER) is investigated by classical molecular dynamics simulations. The Stillinger-Weber interatomic potential is used with an adapted parameter set that yields correct or reasonable structural, thermodynamic and defect properties of diamond-structure Ge. First of all a realistic atomic system with an amorphous-crystalline interface which is nearly parallel to a {100} plane is prepared and characterized. The properties of the simulated amorphous Ge are compared with experimental and theoretical data and a very good agreement is found. Then, the system is heated to a given temperature and the regrowth of the amorphous layer is monitored by different methods including visualization and statistical analysis. Regrowth velocities are calculated for a wide temperature range and the effective migration barrier is determined. The results are compared to experimental data from literature. During SPER the evolution of the roughness and the morphology of the amorphous-crystalline interface are investigated. In order to improve the physical understanding of SPER the rearrangement of atoms at the amorphous-crystalline interface is studied in detail.
Keywords: Germanium, atomistic simulation, solid phase epitaxy
  • Lecture (Conference)
    E-MRS 2008 Spring Meeting, Symposium J: Beyond Silicon Technology: Materials and Devices for Post-Si CMOS, 26.-30.05.2008, Strasbourg, France
  • Poster
    16th International Conference on Ion Beam Modification of Materials (IBMM 2008), 31.08.-05.09.2008, Dresden, Germany

Permalink: https://www.hzdr.de/publications/Publ-11375
Publ.-Id: 11375