Related papers: Two-Dimensional Transition Metal Dichalcogenides w…
Two-dimensional topological insulators (2DTI) have attracted increasing attention during the past few years. New 2DTI with increasing larger spin-orbit coupling (SOC) gaps have been predicted by theoretical calculations and some of them…
Atomically thin group-VIB transition metal dichalcogenides (TMDs) have recently emerged as a new class of two-dimensional (2D) semiconductors with extraordinary properties including the direct band gap in the visible frequency range, the…
By means of ternary chemical potential phase diagram and phonon spectrum calculations, we propose that $M$Tl$_4$Te$_3$ ($M$ = Cd, Hg), the derivatives of Tl$_5$Te$_3$, are thermodynamically and dynamically stable in the body centered…
Recently, a new class of second-order topological insulators (SOTIs) characterized by an electronic dipole has been theoretically introduced and proposed to host topological corner states. As a novel topological state, it has been…
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…
Identifying materials hosting an excitonic insulator ground state has been one of the major pursuits in condensed matter physics in recent years. Promising candidates in transition metal chalcogenide compounds (TMC), including…
Research on two-dimensional (2D) topological insulators (TIs) is obstructed due to the lack of feasible approaches to growing 2D TIs in experiments. Through systematic first-principles calculations and tight-binding simulations, we propose…
Transition-metal dichalcogenides (TMDCs) are important class of two-dimensional (2D) layered materials for electronic and optoelectronic applications, due to their ultimate body thickness, sizable and tunable bandgap, and decent theoretical…
Transition metal dichalcogenide (TMD) materials are unique in the wide variety of structural and electronic phases they exhibit in the two-dimensional (2D) single-layer limit. Here we show how such polymorphic flexibility can be used to…
A van der Waals material, MoTe2 with a monoclinic 1T' crystal structure is a candidate for three-dimensional (3D) second-order topological insulators (SOTIs) hosting gapless hinge states and insulating surface states. However, due to the…
Van der Waals heterostructures have been used to tailor atomic layers into various artificial materials through interactions at heterointerfaces. The interplay between the band gap created by the band folding of the interfacial potential…
Identifying the two-dimensional (2D) topological insulating (TI) state in new materials and its control are crucial aspects towards the development of voltage-controlled spintronic devices with low power dissipation. Members of the 2D…
Two-dimensional (2D) lateral heterojunctions of transition metal dichalcogenides (TMDCs) have become a reality in recent years. Semiconducting TMDC layers in their common H -structure have a nonzero in-plane electric polarization, which is…
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…
We propose new two-dimensional (2D) topological insulators (TIs) in functionalized germanenes (GeX, X=H, F, Cl, Br or I) using first-principles calculations. We find GeI is a 2D TI with a bulk gap of about 0.3 eV, while GeH, GeF, GeCl and…
The optical response of two-dimensional (2D) materials has been customarily calculated ab initio using plane waves and without separating the most important orbitals contributions. In the family of transition metal dichalcogenides (TMDC)…
In recent years, transition metal dichalcogenides (TMDs) have garnered great interest as topological materials -- monolayers of centrosymmetric $\beta$-phase TMDs have been identified as 2D topological insulators (TIs), and bulk crystals of…
The interplay between topology and crystalline symmetries in materials can lead to a variety of topological crystalline insulator (TCI) states. Despite significant effort towards their experimental realization, so far only…
Two-dimensional (2D) topological insulators (TIs) have attracted tremendous research interest from both theoretical and experimental fields in recent years. However, it is much less investigated in realizing node line (NL) semimetals in 2D…
High-order topological insulators (TIs) are a family of recently-predicted topological phases of matter obeying an extended topological bulk-boundary correspondence principle. For example, a two-dimensional (2D) second-order TI does not…