Structural, electronic, magnetic and optical properties of transition metal doped boron arsenide nanosheets
M A Helal,
Mohamed M Fadlallah
Abstract:Due to the fascinating properties of the BAs monolayer and its promising applications, we study the structural, electronic, magnetic, and optical properties of the transition mono-doped BAs nanosheets using first-principle calculations. Two substitutional doping configurations are considered at site B (dopantB) and site As (dopantAs). The doped structure at site As is more stable than at site B for the same dopant because the difference in atomic size between the dopant and As atoms is smaller than the correspond… Show more
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