Effect of biaxial strain on the binding energies of adsorbed In and Al atoms on (001) surfaces of InAs and AlAs

Abstract

The dependence of the binding energies of adsorbed In and Al atoms on the (001) surfaces of InAs and AlAs with β 2 {\beta_{2}} (2 × {\times} 4) reconstruction on the biaxial compression and tension strains has been investigated using the density functional theory. The maps of the potential energy surface of the adsorbed In atom on the (001) surface of InAs and AlAs with β 2 {\beta_{2}} (2 × {\times} 4) reconstruction have been calculated. According to the calculation results, a general trend towards an increase in the absolute values of the binding energy of the adsorbed In and Al atoms on the (001) surface of InAs and AlAs with an increase in the biaxial tension strain has been observed. For certain positions of the adsorbed atoms, a change in the sign of the derivative of the binding energy dependence on the biaxial strain has been observed with a change in the symmetry of the adsorbed state of the atom.