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Damien Caliste

Phone: 04 38 78 35 18
Fax 04 38 78 51 97

Snapshot of the movement of a Ge atom in a dumbbell interstitial position in silicon crystal. This movement includes an hexagonal interstital position as an on-the-way stable configuration. The evolution of the energy is plotted in the left-bottom box.

Research interests
Diffusion of defects in Si and SiGe
Ab initio methods (DFT with BigDFT and ABINIT)
Monte Carlo algorithms (kinetic Monte Carlo on lattice) 

Short CV
Since 2007 Research staff member at CEA/INAC Grenoble.
2006 post doctoral position in l'Université Catholique de Louvain (Belgium) in the team of Xavier Gonze, working on BigDFT
December 2005 PhD in physics, speciality in material sciences. Thesis directed by Dr. F. Lançon [Grenoble - France].
October 2002 engineer degree from l'École Centrale (scientific and technical school) [Lyon - France].

Publications scientifiques

Selected papers:

  • Vacancy-mediated diffusion in biaxially strained Si
    D. Caliste, K. Z. Rushchanskii, P. Pochet
    Appl. Phys. Lett., Vol. 98, p. 031908 (2011).
  • Daubechies wavelets as a basis set for density functional pseudopotential calculations
    L. Genovese, A. Neelov, S. Goedecker, T. Deutsch, S.A. Ghasemi, A. Willand, D. Caliste, O. Zilberberg, M. Rayson, A. Bergman and R. Schneider
    Journal of Chemical Physics, Vol. 129, p. 014109 (2008).
  • Sharing electronic structure and crystallographic data with ETSF_IO
    D. Caliste, Y. Pouillon, M.J. Verstraete, V. Olevano and X. Gonze
    Computer Physics Communications, Vol. 179, p. 748-758 (2008)
  • Germanium diffusion mechanisms in silicon: a first principle study
    D. Caliste, P. Pochet, T. Deutsch and F. Lançon
    Phys. Rev. B Vol. 75, 125203 (2007).
  • Vacancy-assisted diffusion in silicon: a three temperatures model
    D. Caliste and P. Pochet
    Phys. Rev. Lett. Vol. 97, 135901 (2006).

Thesis manuscript: Multi-scale simulations of defects diffusion in Si and SiGe semiconductors written in French.

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