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The goal of this work is simulation of possible structures, formed by boron ions (B + ) during adsorption on Si(100) and Ge(100) surfaces. Calculations were carried out using a semi-empirical method, known as the Modified Neglect of Differential Overlap method (MNDO). The surface was simulated using of Si 49 (Ge 49 ) and Si 63 (Ge 63 ) clusters. Results of quantum-chemical...
The goal of this work is the simulation of possible structures, which phosphorus ions form during adsorption on the Ge surface. Results of quantum-chemical calculations of phosphorous ions (P − , P + ) adsorption on clean ordered and disordered Ge(100)-(2×1) surfaces are presented in this work. Adsorption barriers for phosphorous ions, electronic states of Ge(100)-(2×1) surface with...
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