Electronic and magnetic properties of doped black phosphorene with concentration dependence

Ke Wang
Ke Wang
Min Zhang
Min Zhang

Beilstein Journal of Nanotechnology, pp. 993-1001, 2019.

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Keywords:
doped black phosphoreneelectronic propertiesfirst principlesmagnetic properties

Abstract:

In this paper, we employed first-principles calculations and chose Si and S atoms as impurities to explore the concentration-dependence of electronic structure and magnetism of doped phosphorene. It is found that the stability of doped phosphorene improves continuously with increasing the supercell size and decreasing impurity concentrati...More

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