The Boltzmann transport equation (BTE) describes the scattering processes of the ions in the target by changes in the statistical momentum's distribution . The number of particles with energies and angles in the momentum interval that go through a unit-area element at depth normal to the surface is given by . With , the angle between the direction of ion motion and the -axis, and the probability of a collision, the spatial evolution of this momentum is given by the BTE (2.1-1). The ions can be scattered from state into a final state or they can be scattered out of into .
Monte Carlo simulations described above are one way to fulfil the BTE. Here we sketch the BTE method [Chr80], [Tak83], [Gil86], a numerical algorithm for solving (2.1-1). The momentum distribution function is represented as a two-dimensional matrix corresponding to particles of energy () moving in direction () (see Figure 2.1-3).
In the initial state the momentum distribution in the surface plane is a -function, given by the ion's energy and flight direction. The momentum can be substituted by energy and angle . At each step in the calculation, the redistribution of the particles in the momentum space at depth in a depth element is obtained from (2.1-1). While ions with an energy below some threshold are stopped and stored as concentration at depth , the others continue until they have lost enough energy to come to rest (see Figure 2.1-4).
Both, Monte Carlo simulations and the BTE method are very time consuming. Profiles predicted for amorphous targets may differ rather strongly from measurements in crystalline materials. The BTE method usually gives smoother dopant profiles in less CPU-time [Chr80] in one space dimension. Both methods are based on first principles and allow the treatment of arbitrary target structures and parasitic effects like damage, back scattering or knock-in effects. Today, Monte Carlo simulations in crystalline targets are more or less standard in cutting-edge scientific research, whereas the BTE method is less frequently used.