Jin Yu and Wanlin Guo.Strain tunable electronic and magnetic properties of pristine and semihydrogenated hexagonal boron phosphide. Appl. Phys. Lett. 106, 043107 (2015)

Appl. Phys. Lett.
Jin Yu and Wanlin Guo Appl. Phys. Lett. 106, 043107 (2015) DOI:10.1063/1.4906998
Strain tunable electronic and magnetic properties of pristine and semihydrogenated hexagonal boron phosphide

wlguo@nuaa.edu.cn
State Key Laboratory of Mechanics and Control of Mechanical Structures, Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education and Institute of Nanoscience, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, People's Republic of China

Received 24 November 2014; accepted 19 January 2015; published online 30 January 2015

Abstract

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 two-dimensional semiconductors, the direct gap of h-BP undergoes blue shift under biaxial tensile strain. Once semihydrogenated, the h-BP not only transform from the nonmagnetic semiconductor into metal which is spin-resolved but
also exhibits linear response between the magnetic moment and biaxial strain with a slope up to 0.005lB/1%. These findings provide a simple and effective route to tune the electronic and mag-netic properties of h-BP nanostructures in a wide range and should inspire experimental enthusiasm.

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