In this work, the p-type doping of the SA type stepped Ge(100) surface by a diborane (B2H6) gas flow has been simulated by the possible dissociation and adsorption models. The most probable dissociation model of B2H6 and adsorption models of the fragments of B2H6 on the stepped Ge(100) surface...

The structural and electronic properties of BNxAs1-x alloys have been investigated in the total range of nitrogen by the FP-LAPW method based on DFT within the EV-PW-GGA scheme. The equilibrium lattice constants, bulk moduli, first-order pressure derivatives of the bulk moduli, and cohesive...

The most stable structures for the adsorption and dissociation of phosphine (PH3) on SiGe(100) (2 × 1) surface have been investigated by relative total energy calculations based on density functional theory. According to the optimization calculations, PH3 is adsorbed on the Si (down) and Ge...