54 citations · 60 across the 7 of their papers we have counts for
7 papers
Super-Exchange Theory for Polyvalent Anion Magnets
Fang Zhang, You-Chao Kong, Rui Pang +4
The Goodenough-Kanamori-Anderson (GKA) rules have been widely applied for explaining the magnetic properties induced by super-exchange interaction. As conclusions of the super-exch…
Giant atomic magnetocrystalline anisotropy from degenerate orbitals around Fermi level
Rui Pang, Bei Deng, Xingqiang Shi
Nano-structures with giant magnetocrystalline anisotropy energies (MAE) are desired in designing miniaturized magnetic storage and quantum computing devices. Through ab initio and…
Fullerene antiferromagnetic reconstructed spinterface subsurface layer dominates multi-orbitals spin-splitting and large magnetic moment in C60
Yangfan Shao, Rui Pang, Hui Pan +1
The interfaces between organic molecules and metal surfaces with layered antiferromagnetic order have gained increasing interests in the field of antiferromagnetic spintronics. The…
Manipulating Magnetism at Organic/Ferromagnetic Interfaces by Fullerene-Induced Surface Reconstruction
R. Pang, X. Shi, M. A. van Hove
Fullerenes have several advantages as potential materials for organic spintronics. Through a theoretical first-principles study, we report that fullerene C adsorption can in…
Lithium Intercalation in Graphene/MoS2 Composites: First-Principles Insights
Xiji Shao, Kedong Wang, Rui Pang +1
As a storage material for Li-ion batteries, graphene/molybdenum disulfide (Gr/MoS2) composites have been intensively studied in experiments. But the relevant theoretical works from…
Molecular Precursors-Induced Surface Reconstruction at Graphene/Pt(111) Interfaces
Qian Wang, Rui Pang, Xingqiang Shi
Inspired by experimental observations of Pt(111) surfaces reconstruction at the Pt/graphene (Gr) interfaces with ordered vacancy networks in the outermost Pt layer, the mechanism o…
Stability of Two-Dimensional Iron-Carbides Suspended across Graphene Pores: First-principles Particle Swarm Optimization
Yangfan Shao, Rui Pang, Xingqiang Shi
Inspired by recent experimental realizations of two-dimensional (2D) metals and alloys, we theoretically investigate the stability and electronic properties of monolayer (ML) Fe-C…