ArticleThe journal of physical chemistry. C, Nanomaterials and interfaces2025
Tuning Topologically Nontrivial States in the BHT-Ni Metal-Organic Framework.
Article in The journal of physical chemistry. C, Nanomaterials and interfaces, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
- Ligand-Controlled Valley and Spin Properties in Ni-Based Two-Dimensional Metal-Organic Frameworks.The journal of physical chemistry. C, Nanomaterials and interfaces · 2026Article
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4 authors.
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Abstract
Using first-principles calculations, we have demonstrated the creation of multiple quantum states in the experimentally accessible metal-organic framework BHT-Ni. Specifically, quantum spin Hall and quantum anomalous Hall states are induced by two- and four-electron doping, respectively. Geometrical symmetry breaking is also investigated in cis- and trans-like structures. For a low electron doping concentration of two electrons per unit cell, the Fermi energy shifts to a nontrivial band gap between the Dirac bands, predicting a quantized spin Hall conductivity. Subsequently at a high electron doping concentration, an anomalous Hall conductivity with a quantized value is observed. In addition, for a centrosymmetric (trans-like) structure, it preserves the quantum spin Hall state and quantized spin Hall conductivity. In contrast, in the noncentrosymmetric (cis-like) structure, the breaking of space inversion symmetry leads to the emergence of the valley Hall effect and the disappearance of spin Hall conductivity.
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