Kinetic Monte Carlo for Process Simulation: First Principles Calibrated Parameters for BO 2
Abstract
The formation energies and diffusion paths of Oi, O2i and BO2 complex in silicon are determined using ab initio calculations and used to calibrate a Kinetic Monte Carlo. The aim is to simulate the formation of the BO2 complex in Technology Computer Aided Design tools.
Domains
Physics [physics]
Origin : Files produced by the author(s)