相关论文: Predicting A Novel Phase of 2D SiTe$_2$

Bulk TiSe$_2$ is an intrinsically layered transition metal dichalcogenide (TMD) hosting both superconducting and charge density wave (CDW) ordering. Motivated by the recent progress in preparing two-dimensional TMDs, we study these…

State-of-the-art theoretical studies anticipate a 2D Dirac system in the "heavy" analogues of graphene, free-standing buckled honeycomb-like Xenes (X = Si, Ge, Sn, Pb, etc.). Herewith a structurally and electronically resembling 2D sheet,…

Driving quantum phase transitions in the 3D topological insulators offers pathways to tuning the topological states and their properties. We use DFT-based calculations to systematically investigate topological phase transitions in…

Silicon-based two-dimensional (2D) materials, including well-known silicene, have garnered considerable attention due to their potential in advanced electronic and optoelectronic applications. Here, we introduce a novel 2D silicon variant,…

The major breakthroughs in the understanding of topological materials over the past decade were all triggered by the discovery of the Z$_2$ topological insulator (TI). In three dimensions (3D), the TI is classified as either "strong" or…

Titanium nitride halides, TiNX (X = F, Cl, Br, I) in the {\alpha}-phase (orthorhombic) are exciting quasi two-dimensional (2D) electronic systems exhibiting a fascinating series of electronic ground states under different conditions.…

Dimensional evolution between one- ($1D$) and two-dimensional ($2D$) topological phases is investigated systematically. The crossover from a $2D$ topological insulator to its $1D$ limit shows oscillating behavior between a $1D$ ordinary…

Most metallic transition metal dichalcogenides undergo charge density wave (CDW) instabilities with similar or identical ordering vectors in bulk and in single layer, albeit with different critical temperatures. Metallic 1T-TiTe$_2$ is a…

The emergent phenomena such as superconductivity and topological phase transitions can be observed in strict two-dimensional crystalline matters. Artificial interfaces and one atomic thickness layers are typical 2D materials of this kind.…

The rare-earth ditellurides are known to form two-dimensional square lattice where the strong Fermi surface nesting leads to structural modulation. In contrast to charge density waves, the supercell modulation is accompanied by the…

In realizing practical non-trivial topological electronic phases stable structures need to be determined first. Tin and lead do stabilize an optimal two-dimensional high-buckled phase --a hexagonal-close packed bilayer structure with…

Thanks to their unique properties single-layer 2-D materials appear as excellent candidates to extend Moore's scaling law beyond the currently manufactured silicon FinFETs. However, the known 2-D semiconducting components, essentially…

Two-dimensional topological insulators (2D TIs) are a highly desired quantum phase but few materials have demonstrated clear signatures of a 2D TI state. It has been predicted that 2D TIs can be created from thin films of three-dimensional…

A structure of germanium selenide glasses is simulated by the featured clusters built from the tetrahedral GeSe4 units up to the clusters with six germanium atoms (Ge6Se16H4 and Ge6Se16H8). Quantum chemical calculations at the DFT level…

The recently synthesized ternary quasi-2D material TaRhTe$_4$ is a bulk Weyl semimetal with an intrinsically layered structure, which poses the question how the topology of its electronic structure depends on layers separations.…

In recent years, layered transition-metal dichalcogenides (TMDs) have attracted considerable attention because of their rich physics; for example, these materials exhibit superconductivity, charge density waves, and the valley Hall effect.…

Tungsten ditelluride (WTe2) is a layered material that exhibits excellent magnetoresistance and thermoelectric behaviors, which are deeply related with its distorted orthorhombic phase that may critically affect the lattice dynamics. Here,…

Since the emergence of monolayer graphene as a promising two-dimensional material, many other monolayer and few-layer materials have been investigated extensively. An experimental study of few-layer Si2Te3 was recently reported, showing…

We present a joint experimental and theoretical study of the superconducting phase of the layered binary silicide BaSi2. Compared with the layered AlB2 structure of graphite or diboride-like superconductors, in the hexagonal structure of…

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…