相关论文: Two-dimensional Janus Si dichalcogenides: A first-…
For layered materials, the interlayer stacking is a critical degree of freedom tuning electronic properties, while its microscopic characterization faces great challenges. The transition-metal dichalcogenide 1T-TaS$_2$ represents a novel…
Two-dimensional sliding ferroelectrics, with their enhanced efficiencies of charge separation and tunability, constitute promising platforms for next-generation photovoltaic devices. However, recent systems predominantly exhibit dual…
Manipulation of spin-polarized electronic states of two-dimensional (2D) materials under ambient conditions is necessary for developing new quantum devices with small physical dimensions. Here, we explore spin-dependent electronic…
Next-generation, atomically thin devices require in-plane, one-dimensional heterojunctions to electrically connect different two-dimensional (2D) materials. However, the lattice mismatch between most 2D materials leads to unavoidable…
Two-dimensional Janus transition-metal chalcogenide -hydrides (2D-JTMCs) feature a three layered structure, with a central layer of transition metal atoms, with chalcogenides below and hydogens above. This asymmetry endows 2D-JTMCs with…
We investigate the orbital and spin Edelstein effect(OEE and SEE) in two-dimensional Janus transition metal dichalcogenides (TMDs) of the form MXX$^\prime$ $(M = Mo,\ W,\ Nb;\ X/X^\prime = S,\ Se,\ Te)$ with the aid of density functional…
Based on first-principles simulations and calculations, we explore the evolution of crystal structure, electronic structure and transport properties of quasi 2D layered PdS2 under uniaxial stress and hydrostatic pressure. The coordination…
Spin defects in atomically thin two-dimensional (2D) materials such as hexagonal boron nitride (hBN) attract significant attention for their potential quantum applications. The layered host materials not only facilitate seamless integration…
Coordination-related, two-dimensional (2D) structural phase transitions are a fascinating and novel facet of two-dimensional materials with structural degeneracies. Nevertheless, a unified theoretical account of these transitions remains…
Inspired by recent experimental synthesis of the two-dimensional Janus material MoSH, we have performed extensive first-principles calculations to investigate the characteristics of all possible Janus two-dimensional transition metal…
Among a huge variety of known two-dimensional materials, some of them have anisotropic crystal structures; examples include so different systems as a few-layer black phoshphorus (phosphorene), beryllium nitride BeN$_4$, van der Waals magnet…
Two-dimensional materials with hexagonal symmetry such as graphene and transition metal dichalcogenides} are unique materials to study light-field-controlled electron dynamics inside of a solid. Around the $K$-point, the dispersion relation…
Transition-metal dichalcogenides (TMDs) offer an extremely rich material platform in the exploration of unconventional superconductivity. The unconventional aspects include exotic coupling mechanisms such as the Ising pairing, a complex…
Low-symmetry 2D materials---such as ReS$_2$ and ReSe$_2$ monolayers, black phosphorus monolayers, group-IV monochalcogenide monolayers, borophene, among others---have more complex atomistic structures than the honeycomb lattices of…
Sliding ferroelectricity is emerging as a distinct and promising mechanism for realizing ferroelectricity in low-dimensional systems, offering new design principles beyond the conventional ferroelectric mechanism. Further, the coexistence…
We argue that the unusual properties of a wide class of materials based on Jahn-Teller 3d and 4d ions with different crystal and electronic structures, from quasi-two-dimensional unconventional superconductors (cuprates, nickelates,…
Inversion asymmetry in two-dimensional materials grants them fascinating properties such as spin-coupled valley degrees of freedom and piezoelectricity, but at the cost of inversion domain boundaries if the epitaxy of the grown 2D layer --…
2D intercorrelated ferroelectrics, exhibiting a coupled in-plane and out-of-plane ferroelectricity, is a fundamental phenomenon in the field of condensed-mater physics. The current research is based on the paradigm of bi-directional…
Two-dimensional (2D) layered transition metal dichalcogenides (TMDs) have been recently proposed as appealing candidate materials for spintronic applications owing to their distinctive atomic crystal structure and exotic physical properties…
The anisotropic two-dimensional (2D) van der Waals (vdW) layered materials, with both scientific interest and potential application, have one more dimension to tune the properties than the isotropic 2D materials. The interlayer vdW coupling…