Related papers: Geometric band properties in strained monolayer tr…
Electrons in monolayer transition metal dichalcogenides (TMDs) possess both the valley and spin degree of freedom. These internal quantum degrees of freedom have provided an ideal laboratory for exploring both new physical phenomena and…
Moire engineering in two-dimensional transition metal dichalcogenides enables access to correlated quantum phenomena. Realizing such effects demands simultaneous control over twist angle and material composition to modulate phonons,…
When semiconducting transition metal dichalcogenides heterostructures are stacked the twist angle and lattice mismatch leads to a periodic moir\'e potential. As the angle between the layers changes, so do the electronic properties. As the…
We study the topological bands in twisted bilayer transition metal dichalcogenides in an external magnetic field. We first focus on a paradigmatic model of WSe$_2$, which can be described in an adiabatic approximation as particles moving in…
We show that the position-momentum duality offers a transparent interpretation of the band geometry at the topological band crossings. Under this duality, the band geometry with Berry connection is dual to the free-electron motion under…
Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have versatile electronic and optical properties. TMD nanoribbons show interesting properties due to reduced dimensionality, quantum confinement, and edge states. Tang et…
Two-dimensional (2D) materials for their versatile band structures and strictly 2D nature have attracted considerable attention over the past decade. Graphene is a robust material for spintronics owing to its weak spin-orbit and hyperfine…
Moir\'e superlattices in stacked 2D crystals are powerful platforms for engineering correlated and topological quantum phases, with twisted graphene and transition metal dichalcogenides (TMDs) as prominent examples. Their angle-sensitive…
The structural, electronic, and dielectric (optical) properties of graphene-like 2D MgO monolayer have been explored through first-principles calculations under bi-axial tensile and compressive mechanical strain within a range of -10% to…
First-principles studies of two-dimensional transition metal dichalcogenides have contributed considerably to the understanding of their dielectric, optical, elastic, and vibrational properties. The majority of works to date focus on a…
In this review, we present recent works on materials whose common point is the presence of electronic bands of very low dispersion, called "flat bands", which are due to specific atomic order effects without electron interactions. These…
Experimental demonstrations of tunable correlation effects in magic-angle twisted bilayer graphene have put two-dimensional moir\'e quantum materials at the forefront of condensed-matter research. Other twisted few-layer graphitic…
We report a strain-induced direct-to-indirect band gap transition in mechanically deformed WS2 monolayers (MLs). The necessary amount of strain is attained by proton irradiation of bulk WS2 and the ensuing formation of one-ML-thick,…
We study in-plane lateral heterostructures of commensurate transition-metal dichalcogenides, such as MoS$_{2}$-WS$_{2}$ and MoSe$_{2}$-WSe$_{2}$, and find interfacial and edge states that are highly localized to these regions of the…
We develop parameters for the interlayer Kolmogorov-Crespi (KC) potential to study structural features of four transition metal dichalcogenides (TMDs): MoS$_2$, WS$_2$, MoSe$_2$ and WSe$_2$. We also propose a mixing rule to extend the…
Over the past few years, there has been a growing interest in layered transition metal dichalcogenides (TMD) such as molybdenum disulfide (MoS2). Most studies so far have focused on the electronic and optoelectronic properties of…
Alloying offers a way to tune many of the properties of the transition metal dichalcogenide (TMD) monolayers. While these systems in many cases have been thoroughly investigated previously, the fundamental understanding of critical…
Motivated by recent studies on topologically non-trivial moir\'{e} bands in twisted bilayer transition metal dichalcogenides (TMDs), we study MoTe$_2$ bilayer systems subject to pressure, which is applied perpendicular to the material…
Twisted multilayer transition metal dichalcogenides (TMDs) are a promising platform for realizing topological exciton phases. Here we propose that twisted TMD heterotrilayers WX$_2$/MX$_2$/WX$_2$ with layer symmetry represents a realistic…
Single-layer MoS2 is a direct-gap semiconductor whose electronic band structure strongly depends on the strain applied to its crystal lattice. While uniaxial strain can be easily applied in a controlled way, e.g., by bending of a flexible…