Molecular dynamics simulation of structural change at metal/semiconductor interface induced by nanoindenter

Zhao Bing-Bing^{1, 2}, Wang Ying^{1, 2}, Liu Chang^{1, 2}, Wang Xiao-Chun^{1, 2, †,}

Orthographic views of the structures: (a) the initial crystal structure, (b) the structure relaxed via the isothermal-isobaric ensemble (NPT), (c) the structure at equilibrium. The blue and brown spheres represent Si and Cu atoms respectively.