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In this article, the piezoelectric effects of the 2D semiconductors of IV group monochalcogenides (GeS, GeSe) are studied by methods of the density functional theory and first-principles pseudopotential based on own program code. The spatial distribution of valence electron density, density of states, and Coulomb potential along transverse direction are calculated. It was found that a more significant rearrangement of the electron density was observed during compression of both GeS and GeSe bi-layer films than mono-layer films, but more significant in GeS films.

Ab initio study of the piezoelectric effects of the 2D semiconductors of IV group monochalcogenides (GeSe, GeS)