相关论文: Understanding topological phase transition in tran…

Transition metal dichalcogenides (TMDs) offer a unique platform to study unconventional superconductivity, owing to the presence of strong spin-orbit coupling and a remarkable stability to an in-plane magnetic field. A recent study found…

We developed a Landau type theory for the description of polar phenomena in low-dimensional transition metal dichalcogenides (TMDs), specifically exploring flexoelectric origin of the polarization induced by a spontaneous bending and by…

Based on the ab initio calculations, we show that MoTe2, in its low-temperature orthorhombic structure characterized by an X-ray diffraction study at 100 K, realizes 4 type-II Weyl points between the N-th and N+1-th bands, where N is the…

Iron-chalcogenide superconductors display rich phenomena caused by orbital-dependent band shifts and electronic correlations. Additionally, they are potential candidates for topological superconductivity due to the band inversion between…

The unique optical and electronic properties of two-dimensional transition metal dichalcogenides (2D TMDs) make them promising materials for applications in (opto-)electronics, catalysis and more. Specifically, alloys of 2D TMDs have broad…

We develop a unified view of topological phase transitions (TPTs) in solids by revising the classical band theory with the inclusion of topology. Re-evaluating the band evolution from an "atomic crystal" [a normal insulator (NI)] to a solid…

Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal and electronic structures…

Substitutional transition metal (TM) point defects have recently been controllably introduced in two-dimensional (2D) transition metal dichalcogenides. We identify quantum defect candidates through a first-principles materials discovery…

The electronic structure of semiconducting 2D materials such as transition metal dichalcogenides (TMDs) is known to be tunable by its environment, from simple external fields applied with electrical contacts up to complex van der Waals…

Rich valleytronics and diverse defect-induced or interlayer pre-bandgap excitonics have been extensively studied in transition metal dichalcogenides (TMDCs), a system with fascinating optical physics. However, more intense high-energy…

Theoretically it has been known that breaking spin-degeneracy and effectively realizing 'spinless fermions' is a promising path to topological superconductors. Yet, topological superconductors are rare to date. Here, we propose to realize…

Due to the presence of flat Chern bands, moir\'e transition metal dichalcogenide (TMD) bilayers are a platform to realize strongly correlated topological phases of fermions such as fractional Chern insulators. TMDs are also known to host…

Based on first-principles calculations, we demonstrate that 1H/2H-phase transition metal dichalcogenides MX2 (M=Nb,Ta; X=S,Se,Te) are unconventional metals, which have an empty-site band of $A_1'@1e$ elementary band representation at the…

Topological mosaic pattern (TMP) can be formed in two-dimensional (2D) moir\'e superlattices, a set of periodic and spatially separated domains with distinct topologies give rise to periodic edge states on the domain walls. In this study,…

We present a comprehensive first-principles study of the electronic structure of 51 semiconducting monolayer transition metal dichalcogenides and -oxides in the 2H and 1T hexagonal phases. The quasiparticle (QP) band structures with…

Transition metal dichalcogenides (TMDs) are interesting for understanding fundamental physics of two-dimensional materials (2D) as well as for many emerging technologies, including spin electronics. Here, we report the discovery of…

We present a detailed theoretical investigation on the electronic transport properties of $n$-type monolayer (ML) transition metal dichalcogenides (TMDs) at low temperature in the presence of proximity-induced interactions such as Rashba…

We have studied the optical conductivity of two-dimensional (2D) semiconducting transition metal dichalcogenides (STMDC) using ab-initio density functional theory (DFT). We find that this class of materials presents large optical response…

Polymorphic phases and collective phenomena - such as charge density waves (CDWs) - in transition metal dichalcogenides (TMDs) dictate the physical and electronic properties of the material. Most TMDs naturally occur in a single given…

Twisted van der Waals heterostructures have recently been proposed as a condensed-matter platform for realizing controllable quantum models due to the low-energy moir\'e bands with specific charge distributions in moir\'e superlattices.…