2 papers
cond-mat.mtrl-sci2022
Flat-band based ferromagnetic semiconducting state in the graphitic CN monolayer
Chaoyu He, Yujie Liao, Tao Ouyang +3
A new set of lattice-models based on the hexagonal super-cells of the well-known honeycomb lattice with single-hole defect (HL-D-1/2N) are proposed to real…
cond-mat.mtrl-sci2021
Ground state configuration of hydrogenated Biphenylene sheet: structure, stabilities, electronic and mechanical properties from first-principles calculations
YuJie Liao, XiZhi Shi, Tao Ouyang +5
Based on first-principles calculations, the ground state configuration (Cmma-CH) of hydrogenated Biphenylene sheet (Science, 372, 852, 2021) is carefully identified from hundreds o…