160 citations · 1k across the 28 of their papers we have counts for
22 papers · 1 filter
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…
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…
Resolving the Intrinsic Bandgap and Edge Effect of BiI3 Film Epitaxially Grown on Graphene
Dan Mu, Wei Zhou, Yundan Liu +5
Two-dimensional materials with layered structures, appropriate bandgap, and high carrier mobilities have gathered tremendous interests due to their potential applications in optoel…
Epitaxial Growth of Quasi-One-Dimensional Bismuth-Halide Chains with Topological Non-Trivial Edge States
Jincheng Zhuang, Jin Li, Yundan Liu +7
Quantum spin Hall insulators have one-dimensional (1D) spin-momentum locked topological edge states (ES) inside the bulk band gap, which can serve as dissipationless channels for t…
New structure canditates for the experimentally synthesized heptazine-based and triazine-based two dimensional graphitic carbon nitride
Luneng zhao, Xizhi Shi, Jin Li +5
The widely used crystal structures for both heptazine-based and triazine-based two-dimensional (2D) graphitic carbon nitride (g-CN) are the flat P-6m2 configurations. Howev…
Stone-Wales graphene: A Two Dimensional Carbon Semi-Metal with Magic Stability
HengChuang Yin, Xizhi Shi, Chaoyu He +7
A two-dimensional carbon allotrope, Stone-Wales graphene, is identified in stochastic group and graph constrained searches and systematically investigated by first-principles calcu…