Related papers: Large-gap insulating dimer ground state in monolay…
Two-dimensional (2D) layered transition metal dichalcogenides (TMDs) have recently attracted tremendous interest as potential valleytronic and nano-electronic materials, in addition to being well-known as excellent lubricants in the bulk.…
It is known that carrier mobility in layered semiconductors generally increases from two-dimension (2D) to three-dimension due to suppressed scattering channels resulting from decreased densities of electron and phonon states. In this work,…
Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D layered MoSe$_2$ intercalated with atomic manganese at…
Using density functional theory with added on-site interactions (DFT+U), we study the electronic structure of bulk, monolayer, and bilayer of the layered transition-metal dichalcogenide $1T-TaS_2$. We show that a two-dimensional…
2D materials have intriguing quantum phenomena that are distinctively different from their bulk counterparts. Recently, epitaxially synthesized wafer-scale 2D metals, composed of elemental atoms, are attracting attention not only for their…
Moir\'e superlattices of transitional metal dichalcogenides exhibit strong electron-electron interaction that has led to experimental observations of Mott insulators and generalized Wigner crystals. In this letter, we report direct…
Magnesium hydroxide (Mg(OH)2) has a layered brucite-like structure in its bulk form and was recently isolated as a new member of 2D monolayer materials. We investigated the electronic and optical properties of monolayer crystals of Mg(OH)2…
Stacking variations in quasi-2D materials can have an important influence on material properties, such as changing the topology of the band structure. Unfortunately, the weakness of van der Waals interactions makes it difficult to compute…
Van der Waals (vdW) heterobilayers formed by two-dimensional (2D) transition metal dichalcogenides (TMDCs) created a promising platform for various electronic and optical properties. ab initio band results indicate that the band offset of…
Twist between neighboring layers and variation of interlayer distance are two extra ways to control the physical properties of stacked two-dimensional van der Waals materials without alteration of chemical compositions or application of…
We propose that a weakly spontaneous charge-ordered insulating state probably exists in Bernal-stacked bilayer graphene which can account for experimentally observed non-monotonic behavior of resistance as a function of the gated field,…
Twistronic assembly of 2D materials employs the twist angle between adjacent layers as a tuning parameter for designing the electronic and optical properties of van der Waals heterostructures. Here, we study how interlayer hybridization,…
Stacking and twisting van der Waals materials provide a powerful tool to design quantum matter and engineer electron correlation. For instance, monolayers of 1T- and 1H-TaS2 are Mott insulating and metallic (also superconducting),…
The advent of topological phases of matter revealed a variety of observed boundary phenomena, such as chiral and helical modes found at the edges of two-dimensional (2D) topological insulators. Antichiral states in 2D semimetals, i.e.,…
Emergence of topological states in strongly correlated systems, particularly two-dimensional (2D) transition-metal dichalcogenides, offers a platform for manipulating electronic properties in quantum materials. However, a comprehensive…
We present a study by Scanning Tunneling Microscopy, supported by ab initio calculations, of the interaction between graphene and monolayer (semiconducting) PtSe$_2$ as a function of the twist angle ${\theta}$ between the two layers. We…
The Mott insulator provides an excellent foundation for exploring a wide range of strongly correlated physical phenomena, such as high-temperature superconductivity, quantum spin liquid, and colossal magnetoresistance. A Mott insulator with…
Two-dimensional (2D) topological insulators (TIs) are promising platforms for low-dissipation spintronic devices based on the quantum spin Hall (QSH) effect, but experimental realization of such systems with a large band gap suitable for…
MoTe$_2$ monolayers and bilayers are unique within the family of van-der-Waals materials since they pave the way towards atomically thin infrared light-matter quantum interfaces, potentially reaching the important telecommunication windows.…
Bilayer van der Waals (vdW) heterostructures such as MoS2/WS2 and MoSe2/WSe2 have attracted much attention recently, particularly because of their type II band alignments and the formation of interlayer exciton as the lowest-energy…