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Unified Bonding Entropy Model for Kekulé Graphene Nanoflakes
Chang-Chun He, Yu-Jun Zhao, Xiao-Bao Yang
The open-shell character of Kekulé graphene nanoflakes (GNFs) is conventionally rationalized by the gain of Clar aromatic -sextets upon electron unpairing. While this rule succe…
Classification and design of two-dimensional altermagnets
Sike Zeng, Dong Liu, Hongjie Peng +3
Altermagnets -- newly identified collinear antiferromagnets -- carry zero net moment with non-relativistic, spin-polarized bands, distilling the best of ferromagnets and antiferrom…
Symmetry-guided prediction of magnetic-ordered ground states
Yuhui Li, Sike Zeng, Yutong Yu +4
Given the scarcity of experimentally confirmed magnetic structures, the prediction of magnetic ground states is crucial yet remains a long-sought challenge due to the complex poten…
A unified bonding entropy model to determine magnetic properties in graphene nanoflakes
Chang-Chun He, Jiarui Zeng, Yu-Jun Zhao +1
Graphene nanoflakes (GNFs) exhibit rich magnetic behaviors arising from two primary mechanisms: geometry frustration in non-Kekulé structures and electron delocalization-driven aro…
Multi-component altermagnet: A general approach to generating multi-component structures with two-dimensional altermagnetism
Hongjie Peng, Sike Zeng, Ji-Hai Liao +3
Altermagnetism, as an unconventional antiferromagnetism, exhibits collinear-compensated magnetic order in real space and spin-splitting band structure in reciprocal space. In this…
Entropy-driven electron density and effective model Hamiltonian for boron systems
Chang-Chun He, Shao-Gang Xu, Yu-Jun Zhao +2
The unique electron deficiency of boron makes it challenging to determine the stable structures, leading to a wide variety of forms. In this work, we introduce a statistical model…