Patent ID: 7074270

Claim:
A method for predicting the behavior of dopant and defect components in a substrate lattice formed from a substrate material, the method comprising: obtaining fundamental data for a set of microscopic processes that can occur during one or more material processing operations, the fundamental data including data representing the kinetics of processes in the set of microscopic processes and the energetics and structure of possible states in the material processing operations; and predicting distributions of dopant and defect components in the substrate lattice based on the fundamental data and a set of external conditions, wherein the distribution of each of Bs, BsBi, BsBiI 2 , Bs 2 Bi, Bs 2 Bi 2 , Bs 3 Bi, and I n is predicted by solving a first relationship throughout the simulation, the distribution of each of I, BsBiI, BsBi 2 and BsBi 3 is predicted by solving a second relationship throughout the simulation, the distribution of BsI is predicted by solving the first relationship in a first time period and by solving the second relationship in a second time period, and the distribution of each of BsI 2 and BsI 3 is predicted by solving the first relationship in a third time period and by solving the second relationship in a fourth time period, wherein Bs and Bi represent substitutional boron and interstitial boron, respectively, and I and I n represent interstitial silicon and a cluster of n I's, respectively, wherein a component I 3 is added to the substrate lattice before annealing, and wherein the concentration of each of BsI. BsI 2 and I 3 at depth x before annealing is assumed to be: C BsI ( x )=0.5 Ã—C B ( x ) C BsI2 ( x )=0.5 Ã—C B ( x ) C I3 ( x )=0.2 Ã—C BsI ( x ) or 0.1 Ã—C B ( x ), where C B (x) is the concentration of boron atoms at depth x.