Related papers: Spin density wave instabilities in the NbS2 monola…
Layered transition metal dichalcogenide 1T-NbSe_2 is a good candidate to explore the charge density wave (CDW) and Mott physics. However, the effects of stacking orders and interlayer coupling in CDW 1T-NbSe_2 are still less explored and…
Competition between collective states like charge density wave and superconductivity is played out in some of the transition metal dichalcogenides unencumbered by the spin degrees of freedom. Although 2H-NbSe$_2$ has received much less…
In bulk samples and few layer flakes, the transition metal dichalcogenides NbS$_2$ and NbSe$_2$ assume the H polytype structure with trigonal prismatic coordination of the Nb atom. Recently, however, single and few layers of 1T-NbSe$_2$…
Monolayer NbSe$_2$ has recently been shown to be a 2-dimensional superconductor, with a competing charge-density wave (CDW) order. This work investigates the electronic structure of monolayer NbSe$_2$ based on first principles calculations,…
We investigate the electronic properties of charge density wave (CDW) heterostructures out of monolayers of 1T-NbSe$_2$ and 1T-Ta$X_2$ (where, $X=$ S and Se) using first-principles followed by dynamical calculations. The CDW-ordered crystal…
Two-dimensional (2D) materials have become a fertile playground for the exploration and manipulation of novel collective electronic states. Recent experiments have unveiled a variety of robust 2D orders in highly-crystalline materials…
The one-dimensional metallic states that appear at the zigzag edges of semiconducting two-dimensional transition metal di-chalcogenides (TMDCs) result from the intrinsic electric polarization in these materials, which for D$_{3h}$ symmetry…
Metallic transition metal dichalcogenides (TMDs), consisting of H-NbSe$_2$, H-NbS$_2$, H-TaSe$_2$ and H-TaS$_2$, remain superconducting down to a thickness of a single layer. In these materials, thickness affects a variety of properties,…
Transition metal dichalcogenides (TMDs) in the $1T$ polymorph are subject to a rich variety of periodic lattice distortions, often referred to as charge density waves (CDW) when not too strong. We study from first principles the fermiology…
Abstract: Layered transition-metal dichalcogenides (TMDCs) down to the monolayer (ML) limit provide a fertile platform for exploring charge-density waves (CDWs). Though bulk NbTe2 is known to harbor a single axis 3*1 CDW coexisting with…
Layered transition metal dichalcogenides (TMDs) are ideal systems for exploring the effects of dimensionality on correlated electronic phases such as charge density wave (CDW) order and superconductivity. In bulk NbSe2 a CDW sets in at TCDW…
The interaction between superconductivity and band topology can lead to various unconventional superconducting (SC) states, and represents a new frontier in condensed matter physics research. Recently, the transition metal dichalcogenide…
Using ab initio methods based on density functional theory, the electronic and magnetic structure of layered hexagonal NbSe$_{2}$ is studied. In the case of single-layer NbSe$_{2}$ it is found that, for all the functionals considered, the…
The existence of a charge density wave (CDW) in transition metal dichalcogenide CuS$_2$ has remained undetermined since its first experimental synthesis nearly 50 years ago. Despite conflicting experimental literature regarding its low…
Magnetic topological semimetals present open questions regarding the interplay of crystal symmetry, magnetism, band topology, and electron correlations. $LnSb_{x}Te_{2-x-\delta}$ (Ln= lanthanide) is a family of square-net-derived…
Charge-density-wave (CDW) instability and pressure-induced superconductivity in bulk 1T-NbS2 are predicted theoretically by first-principles calculations. We reveal a CDW instability towards the formation of a stable commensurate CDW order,…
A theory of Kondo lattices is applied to studying possible magnetic and charge structures of itinerant-electron antiferromagnets. Even helical spin structures can be stabilized when the nesting of the Fermi surface is not sharp and the…
Altermagnetism, a recently proposed and experimentally confirmed class of magnetic order, features collinear compensated magnetism with unconventional d-, g-, or i-wave spin order. Here, we show that in a metallic 2D d-wave altermagnet with…
The tetragonal heavy-fermion compound CeAuSb$_2$ (space group $P4/nmm$) exhibits incommensurate spin density wave (SDW) order below $T_{N}\approx6.5~K$ with the propagation vector $\mathbf{q}_A = (\delta_A,\delta_A,1/2)$. The application of…
The spin density wave instabilities in the quasi-one-dimensional metal (TMTSF)_2ClO_4 are studied in the framework a matrix random phase approximation for intra-band and inter-band order parameters. Depending on the anion ordering potential…