Related papers: Exploring Charge Density Waves in two-dimensional …

MXenes and MBenes, which are two-dimensional (2D) transition metal carbides/nitrides and borides, have been extensively studied for their impressive properties. Recently, we reported a family of transition metal sulfides MSene (M2S) with…

Machine learning interatomic potentials (MLIPs) offer an efficient and accurate framework for large-scale molecular dynamics (MD) simulations, effectively bridging the gap between classical force fields and \textit{ab initio} methods. In…

We investigate the macroscopic effects of charge density waves (CDW) and superconductivity in layered superconducting systems with broken lattice inversion symmetry (allowing for piezoelectricity) such as two dimensional (2D) transition…

We investigate isolated O-H and O-D pairs trapped in BCC Nb using a machine-learning interatomic potential (MLIP) trained to density-functional theory (DFT). The MLIP enables large-supercell analysis and identification of trapping sites…

Vanadium disulfide (VS_{2}) attracts elevated interests for its charge-density wave (CDW) phase transition, ferromagnetism, and catalytic reactivity, but the electronic structure of monolayer has not been well understood yet. Here we report…

We investigated temperature ($T$) dependent ultrafast near-infrared (NIR) transient reflectivity dynamics in coexisting superconducting (SC) and charge density wave (CDW) phases of two-dimensional 2H-NbSe$_{2}$ using NIR and visible…

VSe$_2$ is a layered compound that has attracted great attention due to its proximity to a ferromagnetic state that is quenched by the presence of a charge density wave (CDW) phase. In the monolayer limit, unrelated experiments have…

In order to characterize in detail the charge density wave (CDW) transition of 1$T$-VSe$_2$, its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, angle resolved photoemission (ARPES),…

We employ {\it{ab-initio}} calculations to investigate the charge density waves in single-layer NbSe$_2$, and we explore how they are affected by transition metal atoms. Our calculations reproduce the observed orthorhombic phase in…

Molecular dynamics (MD) employing machine-learned interatomic potentials (MLIPs) serve as an efficient, urgently needed complement to ab initio molecular dynamics (aiMD). By training these potentials on data generated from ab initio…

A charge density wave (CDW) is a phase of matter characterized by a periodic modulation of the valence electron density accompanied by a distortion of the lattice structure. The microscopic details of CDW formation are closely tied to the…

The charge density wave (CDW) state in van der Waals systems shows interesting scaling phenomena as the number of layers can significantly affect the CDW transition temperature, $T_{CDW}$. However, it is often difficult to use conventional…

Modeling the response of material and chemical systems to electric fields remains a longstanding challenge. Machine learning interatomic potentials (MLIPs) offer an efficient and scalable alternative to quantum mechanical methods but do not…

An interaction between electrons and lattice vibrations (phonons) results in two fundamental quantum phenomena in solids: in three dimensions it can turn a metal into a superconductor whereas in one dimension it can turn a metal into an…

The isotropic, non-magnetic doped BaBiO$_3$ superconductors maintain some similarities to high-Tc cuprates, while also providing a cleaner system for isolating charge density wave (CDW) physics that commonly competes with superconductivity.…

Superconductivity in the two-dimensional (2D) limit is a fertile ground for exotic quantum phenomena-many of which remain elusive in their 3D counterparts. While studies of 2D superconductivity have predominantly focused on mono- or…

The discovery of multiple charge-density-wave (CDW) orders in superconducting cuprates and Kagome CsV3Sb5 has offered a unique milieu for studying the interplay of CDW and superconductivity and altered our perspective on their nature. Here,…

Patterns and periods of charge density waves (CDW) in transition metal dichalcogenides exhibit complex phase diagrams that depend on pressure, temperature, metal intercalation, or chalcogen alloying. The phase diagrams have been understood…

Charge density wave (CDW) formation in two-dimensional materials is governed by complex competing lattice instabilities that remain incompletely understood. Here, we investigate the structural evolution of monolayer $\mathrm{1T-VSe}_{2}$…

Understanding Mott insulators and charge density waves (CDW) is critical for both fundamental physics and future device applications. However, the relationship between these two phenomena remains unclear, particularly in systems close to…