Papers › Atomistic insights into ultrafast SiGe nanoprocessing
Atomistic insights into ultrafast SiGe nanoprocessing
Gaetano Calogero, Domenica Raciti, Damiano Ricciarelli, Pablo Acosta-Alba, Fuccio Cristiano, Richard Daubriac, Remi Demoulin, Ioannis Deretzis, Giuseppe Fisicaro, Jean-Michel Hartmann, Sébastien Kerdilès, Antonino La Magna
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Controlling ultrafast material transformations with atomic precision is essential for future nanotechnology. Pulsed laser annealing (LA), inducing extremely rapid and localized phase transitions, is a powerful way to achieve this, but it requires careful optimization together with the appropriate system design. We present a multiscale LA computational framework able to simulate atom-by-atom the highly out-of-equilibrium kinetics of a material as it interacts with the laser, including effects of structural disorder. By seamlessly coupling a macroscale continuum solver to a nanoscale super-lattice Kinetic Monte Carlo code, this method overcomes the limits of state-of-the-art continuum-based tools. We exploit it to investigate nontrivial changes in composition, morphology and quality of laser-annealed SiGe alloys. Validations against experiments and phase-field simulations, as well as advanced applications to strained, defected, nanostructured and confined SiGe are presented, highlighting the importance of a multiscale atomistic-continuum approach. Current applicability and potential generalization routes are finally discussed.
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