Strain tunable electronic and magnetic properties of pristine and semihydrogenated hexagonal boron phosphide

• DOI: 10.1063/1.4906998
• Publication Date: 2015-01-30T18:00:53Z
• Authors: Jin Yu; Wanlin Guo
• Keywords: Gallium phosphide; Phosphide; Magnetic semiconductor; Strain (injury); Nanosheet

Tunable electromagnetic properties of pristine two-dimensional boron phosphide (h-BP) nanosheet and its semihydrogenated structure were studied by density functional theory computations. In sharp contrast to previously reported tensile strain-induced red shift in semiconductors, the direct gap h-BP undergoes blue under biaxial strain. Once semihydrogenated, not only transform from nonmagnetic semiconductor into metal which is spin-resolved but also exhibits linear response between magnetic moment strain with a slope up 0.005 μB/1%. These findings provide simple effective route tune electronic nanostructures wide range should inspire experimental enthusiasm.