Investigating Robust Honeycomb Borophenes Sandwiching Manganese Layers in Manganese Diboride.

ABSTRACT

We report a robust honeycomb boron layers sandwiching manganese layers compound, MnB2, synthesized by high pressure and high temperature. First-principle calculation combined with X-ray photoelectron spectrum unravel that the honeycomb boron structure was stabilized by filling the empty π-band via grabbing electrons from manganese layers. Honeycomb boron layers sandwiching manganese layers is an extraordinary prototype of this type of sandwiched structure exhibiting electronic conductivity and ferromagnetism. Hydrostatic compression of the crystal structure, thermal expansion, and the hardness testing reveal that the crystal structure is of strong anisotropy. The strong anisotropy and first-principle calculation suggests that B-B bonds in the honeycomb boron structure are a strong directional covalent feature, while the Mn-B bonds are soft ionic nature. Sandwiching honeycomb boron layers with manganese layers that combine p-block elements with magnetic transition metal elements could endow its novel physical and chemical properties.