3 papers
cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2025
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…
cond-mat.mes-hall2025
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…