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Título: Kinetic Monte Carlo simulations for transient thermal fields: Computational methodology and application to the submicrosecond laser processes in implanted silicon
Autor: Fisicaro, Giuseppe
Pelaz Montes, María Lourdes
López Martín, Pedro
La Magna, Antonino
Año del Documento: 2012
Editorial: American Physical Society
Descripción: Producción Científica
Documento Fuente: Physical Review E, 2012, 86, 036705
Resumen: Pulsed laser irradiation of damaged solids promotes ultrafast nonequilibrium kinetics, on the submicrosecond scale, leading to microscopic modifications of the material state. Reliable theoretical predictions of this evolution can be achieved only by simulating particle interactions in the presence of large and transient gradients of the thermal field. We propose a kinetic Monte Carlo (KMC) method for the simulation of damaged systems in the extremely far-from-equilibrium conditions caused by the laser irradiation. The reference systems are nonideal crystals containing point defect excesses, an order of magnitude larger than the equilibrium density, due to a preirradiation ion implantation process. The thermal and, eventual, melting problem is solved within the phase-field methodology, and the numerical solutions for the space- and time-dependent thermal field were then dynamically coupled to the KMC code. The formalism, implementation, and related tests of our computational code are discussed in detail. As an application example we analyze the evolution of the defect system caused by P ion implantation in Si under nanosecond pulsed irradiation. The simulation results suggest a significant annihilation of the implantation damage which can be well controlled by the laser fluence.
Palabras Clave: Silicon
Laser irradiation
Irradicación con láser
ISSN: 1539-3755
Revisión por Pares: SI
Patrocinador: info:eu-repo/grantAgreement/EC/FP7/258547
Version del Editor:
Propietario de los Derechos: © American Physical Society
Idioma: eng
Derechos: info:eu-repo/semantics/openAccess
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