Simulations of initial stages of boron deposition on (1 1 0) tungsten surface

Non-empirical potentials are employed in atomistic simulations of the deposition process of boron on tungsten (1 1 0) surface in the framework of the generalized simulation annealing formalism. A comparative analysis of the fine atomic structure in the vicinity of the surface clears up the behavior of the system in the simulated deposition process. Existence of a number of energy barriers in the adhesion path of the boron atom demonstrates the dependence of adhesion conditions on the energy of the atom approaching the surface. This result also shows that the conditions of the metalloid adhesion are influenced by the directional bonding nature and the structural reconstruction of the substrate surface.