87 citations · 257 across the 16 of their papers we have counts for
9 papers · 1 filter
Parity-breaking in single-element phases: Ferroelectric-like elemental polar metals
Hu Zhang, Bei Deng, Wei-Chao Wang +1
Polar metals based on binary and ternary compounds have been demonstrated in literature. Here, we propose a design principle for ferroelectric-like elemental polar metals and relat…
Hole- and electron-injection driven phase transitions in transition metal dichalcogenides and beyond: A unified understanding
Xiao-Huan Lv, Meng-Qi Wu, Yin-Ti Ren +7
The phase transitions among polymorphic two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted increasing attention for their potential in enabling distinct fu…
Charge distribution at metal-multilayered semiconductor interfaces
Qian Wang, Yangfan Shao, Xingqiang Shi
Thicknesses-dependent performances of metal-multilayered semiconductor junctions have attracted increasing attention, but till present, the mechanism of interaction and the resulti…
Uncovering A Two-Dimensional Semiconductor with Intrinsic Ferromagnetism at Room Temperature
Fang Zhang, Xing-Qiang Shi, Zi-Kang Tang
Two-dimensional materials have been gaining great attention as they displayed a broad series of electronic properties that ranging from superconductivity to topology. Among them, t…
Influences of spin-orbit coupling on Fermi surfaces and Dirac cones in ferroelectric-like polar metals
Hu Zhang, Wei Huang, Jia-Wei Mei +1
Based on first-principles calculations and k .p effective models, we report physical properties of ferroelectric-like hexagonal polar metals with P63mc symmetry, which are distinct…
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…
Fermi-level depinning in metal-2D multilayered semiconductor junctions
Qian Wang, Yangfan Shao, Penglai Gong +1
Thicknesses-dependent performance of metal-two-dimensional (2D) semiconductor junctions (MSJ) in electronics/optoelectronics have attracted increasing attention, but till present,…
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…
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…