310 citations · 316 across the 7 of their papers we have counts for
12 papers
I4/mcm-Si: An Ideal Topological Nodal-Line Semimetal
Laiyuan Su, Shifang Li, Jin Li +6
Topological semimetals (TSMs) have attracted numerous attention due to their exotic physical properties and great application potentials. Silicon-based TMSs are of particularly imp…
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…
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…
Theoretical prediction of a low-energy Stone-Wales graphene with intrinsic type-III Dirac-cone
Zhenghao Gong, XiZhi Shi, Jin Li +6
Based on first-principles method we predict a new low-energy Stone-Wales graphene SW40, which has an orthorhombic lattice with Pbam symmetry and 40 carbon atoms in its crystalline…
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…
Complex low energy tetrahedral polymorphs of group IV elements from first-principles
Chaoyu He, Xizhi Shi, S. J. Clark +6
The energy landscape of carbon is exceedingly complex, hosting diverse and important metastable phases, including diamond, fullerenes, nanotubes and graphene. Searching for structu…