Two-dimensional binary MX2 (M = Ni, Pd and Pt; X = P and As) exhibiting a beautiful pentagonal ring network is discussed through first principles calculations.
Two-dimensional materials with a planar lattice, a suitable direct band-gap, high and highly anisotropic carrier mobility are desirable for the development of advanced field-effect transistors. Here we predict three thermodynamically...
A novel two-dimensional material, g-Mg3N2, exhibits an intrinsic direct band gap of 1.86 eV, outstanding stability (2000 K) and a high carrier mobility of up to 103cm2V−1s−1which is larger than that of MoS2and close to that of few-layer phosphorene.
Graphene-like borocarbonitride (g-BC6N) has a direct-band gap of 1.833 eV, high carrier mobility comparable to that of black phosphorene and a pair of inequivalent valleys with opposite Berry curvatures in K and K′ points.