Uniform B-C-N Ternary Monolayer from Non-Metal Filled g-C₃N₄ Sheet

By using first principles calculations, four two-dimensional B-C-N ternary sheets with or-dered and uniform element distribution are predicted based on the C, B, or N filled g-C₃N₄ sheet. These B-C-N ternary sheets are metallic except for B₄-C₃N₄ monolayer, which is a semiconductor with an energy band gap of 1.18 eV. In particular, the B₃C-C₃N₄ is a ferro-magnetic metal with a net magnetic moment of 0.57 μB/cell, which can be used to develop metal-free spintronic device. The calculated formation energy indicates these B-C-N ternary sheets are highly thermal stable. It presents a new route to obtain uniform B-C-N ternary sheet for electronic and spintronic applications.