4 papers
High-Throughput Discovery of Semimetallic Borophenes with Diverse Dirac States Via Transferable Tight-Binding Approach
Yuke Song, Shifang Li, Tao Ouyang +3
Borophene has attracted extensive interest due to its structural flexibility and emergent topological electronic states. However, semimetallic borophenes hosting robust Dirac state…
Unique Hierarchical Rotational Dynamics Induces Ultralow Lattice Thermal Conductivity in Cyanide-bridged Framework Materials
Zhunyun Tang, Xiaoxia Wang, Jin Li +4
The pursuit of materials combining light constituent elements with ultralow lattice thermal conductivity () is crucial to advancing technologies like thermoelectri…
First-principles predictions of the diversity in atomic structures and electronic properties of the reconstructed Si(111)-7x7 surface
Yuke Song, ShiFang Li, PeiZe Lin +4
The 7x7 reconstruction of Si(111) surface is widely understood by the dimer-adatom-stacking-fault model (DAS), but the predicted metallicity of DAS contradicts experimental signs o…
Isolated zero-energy flat-bands and intrinsic magnetism in carbon monolayers
Chaoyu He, Shifang Li, Yuwen Zhang +3
Flat-band in twisted graphene bilayer has garnered widespread attention, and whether flat-bands can be realized in carbon monolayer is an interesting topic worth exploring in conde…