The effects of external electric field and additional strain on electronic and magnetic properties of CrI3/SnC heterostructure

Abstract

The electronic properties of CrI3/SnC heterostructure are investigated by the first-principles method. The Curie temperature (Tc) of CrI3/SnC heterostructure (57.1 K) is higher than that of monolayer CrI3 (∼45 K) significantly, and the nonmagnetic SnC monolayer is also magnetized. CrI3/SnC heterostructure shows an intrinsic type-II band alignment with the band gap (Eg) of 0.34 eV, which facilitates the separation of photogenerated electrons and holes in photoelectric devices. Applying strain and electric field (Eext) can effectively tune the electronic properties of the heterostructure. The transition from semiconductor to metal can be observed when applying greater horizontal strain or stronger Eext. The highest Tc can reach 89.4 K and 207.2 K by applying vertical compressive strain and horizontal uniaxial compressive strain, respectively. The half-metal feature can be realized when Eext = −0.8 V/nm. These findings suggest a new possibility for developing magnetic heterostructure devices.