Related papers: Exploring Charge Density Waves in two-dimensional …
Two-dimensional (2D) materials are known to possess emergent properties that are not found in their bulk counterparts. Recent experiments have shown a $\sqrt7 \times \sqrt3$ charge density wave (CDW) in monolayer 1T-VSe$_2$, in contrast to…
The transition metal dichalcogenide 1$T$-TiSe$_2$ is a quasi-two-dimensional layered material undergoing a commensurate 2 $\times$ 2 $\times$ 2 charge density wave (CDW) transition with a weak periodic lattice distortion (PLD) below…
Twisted bilayers of two-dimensional materials have emerged as a highly tunable platform for studying broken symmetry phases. While most interest has been focused on emergent states in systems whose constituent monolayers do not feature…
The physics of a genuine one-dimensional system in which electrons are confined in one direction remains unclear. The actual electronic state of such a genuinely one-dimensional system has not been investigated in previous experiments, for…
We study nanoelectromechanical resonators fabricated from suspended flakes of NbSe$_2$ (thickness$\sim$30-50 nm) to probe charge density wave (CDW) physics at nanoscale. Variation of elastic and electronic properties accompanying the CDW…
Two-dimensional Janus hydrogenated transition metal chalcogenides provide an unusual platform where lattice instabilities, electron-phonon coupling, and superconductivity are strongly intertwined. Using first-principles calculations, we…
Bulk electrical dissipation caused by charge-density-wave (CDW) depinning and sliding is a classic subject. We present a novel local, nanoscale mechanism describing the occurrence of mechanical dissipation peaks in the dynamics of an atomic…
Metallic transition metal dichalcogenides like tantalum diselenide (TaSe$_{2}$) exhibit exciting behaviors at low temperatures, including the emergence of charge density wave (CDW) states. In this work, density functional theory (DFT) is…
One of the ultimate goals of computational modeling in condensed matter is to be able to accurately compute materials properties with minimal empirical information. First-principles approaches such as the density functional theory (DFT)…
A charge density wave (CDW) is one of the fundamental instabilities of the Fermi surface occurring in a wide range of quantum materials. In dimensions higher than one, where Fermi surface nesting can play only a limited role, the selection…
The exact microscopic origin, symmetry, and thermal melting mechanism of the charge density wave (CDW) phase in TiSe$_{2}$ remain a subject of intense debate, particularly regarding the presence of chiral structural order and a multi-step…
Pair density wave (PDW) is a distinct superconducting state characterized by a periodic modulation of its order parameter in real space. Its intricate interplay with the charge density wave (CDW) state is a continuing topic of interest in…
Charge-density-wave (CDW) order and superconductivity often compete in low-dimensional materials, yet their interplay in Janus MXenes remains largely unexplored. Here, we present a comprehensive first-principles investigation of the…
The interplay between charge density wave (CDW) order and superconductivity has attracted much attention. This is the central issue of along standing debate in simple transition metal dichalcogenides without strong electronic correlations,…
Machine-learned interatomic potentials (MLIPs) are revolutionizing computational materials science and chemistry by offering an efficient alternative to {\em ab initio} molecular dynamics (MD) simulations. However, fitting high-quality…
The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for large systems, long time scales, in nonequilibrium, or in…
Twisted moire superlattices in van-der-Waals heterostructures provide a powerful platform for engineering correlated states through moire-band reconstruction. However, whether globally coherent electronic orders can be continuously…
Unconventional charge and spin density-wave states are commonly observed in bilayer nickelates, drawing considerable attention due to their proximity to high-$T_c$ superconductivity in various phase diagrams. However, the nature and…
Layered transition metal dichalcogenides (TMDs) provide an ideal platform for exploring the effects of dimensionality on correlated electronic phases such as charge density wave (CDW) order. When TMDs are reduced in thickness to the 2-D…
Twisted magnetic van der Waals (vdW) materials offer a promising route for multiferroic engineering, yet modeling large-scale moir\'e superlattices remains challenging. Leveraging a newly developed SpinGNN++ framework that effectively…