Adsorption of Common Transition Metal Atoms on Arsenene: A First-Principles Study
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Arsenene, a new group V two-dimensional (2D) semiconducting material, has attracted the attention of researchers due to its unusual properties. Furthermore, it has been found that these properties can be controlled by different types of engineering, particularly by chemical functionalization of the arsenene surface. Here, the effects of the arsenene surface functionalization by the common transition metals, including Ag, Al, Co, Cr, Mg, Mn, Ti, and V on the electronic properties of arsenene are presented. All the considered elements are found to be strong donors to arsenene. Moreover, Co-, Cr-, Mn-, V-adsorbed arsenene are spin-polarized, while Ag-, Al-, Mg-, and Ti-adsorbed arsenene are non-spin-polarized. The present work renders new ways to modulate electronic properties of arsenene, which is useful for its application in nanodevices.
A.A. Kistanov acknowledges the financial support from the Russian Foundation for Basic Research (grant no. 17-02-00984). S.V. Dmitriev thanks the Russian Science Foundation for the financial support (grant no. 16-12-10175), and Е.А. Korznikova thanks the Russian Foundation for Basic Research (grant no. 18-32-20158).
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