6 papers
Symmetry-breaking-induced multifunctionalities of two-dimensional chromium-based materials for nanoelectronics and clean energy conversion
Lei Li, Tao Huang, Kun Liang +5
Structural symmetry-breaking that could lead to exotic physical properties plays a crucial role in determining the functions of a system, especially for two-dimensional (2D) materi…
Pattern formation during nonequilibrium crystallization by classical-density-functional-based approach
Kun Wang, Shifang Xiao, Jun Chen +1
Solidification pattern during nonequilibrium crystallization is among the most important microstructures in the nature and technical realms. Phase field crystal (PFC) model could s…
Algorithm for generating irreducible site-occupancy configurations
Ji-Chun Lian, Hong-Yu Wu, Wei-Qing Huang +2
Generating irreducible site-occupancy configurations by taking advantage of crystal symmetry is a ubiquitous method for accelerating of disordered structure prediction, which plays…
Substrate-induced magnetism and topological phase transition in silicene
Ke Yang, Wei-Qing Huang, Wangyu Hu +2
Silicene has shown great application potential as a versatile material for nanoelectronics, particularly promising as building block for spintronic applications. Unfortunately, des…
Can the quantum spin Hall state of silicene be preserved on substrate
Ke Yang, Wei-Qing Huang, Wangyu Hu +2
The substrate-induced topological phase transition of silience is a formidable obstacle for developing silicene-based materials and devices for compatibility with current electroni…
Atomistic modeling of the anomalous helium behaviors in vanadium
Nengwen Hu, Canglong Wang, Huiqiu Deng +4
Ab initio calculations have been performed to clarify the primary behaviors of He atoms in vanadium and to generate the database for the development of the interatomic potential fo…