Related papers: Exploring Charge Density Waves in two-dimensional …
Two-dimensional materials are ideal candidates to host Charge density waves (CDWs) that exhibit paramagnetic limiting behavior, similarly to the well known case of superconductors. Here we study how CDWs in two-dimensional systems can…
Machine-learned interatomic potentials (MLIPs) based on message passing neural networks hold promise to enable large-scale atomistic simulations of complex materials with ab initio accuracy. A number of MLIPs trained on energies and forces…
Machine-learning interatomic potentials (MLIPs) offer a powerful avenue for simulations beyond length and timescales of ab initio methods. Their development for investigation of mechanical properties and fracture, however, is far from…
Vertical integration of two-dimensional (2D) van der Waals (vdW) materials with different quantum ground states is predicted to lead to novel electronic properties that are not found in the constituent layers. Here, we present the direct…
To investigate the interplay between charge density wave (CDW) and superconductivity, we performed ultralow-temperature spectroscopic-imaging scanning tunneling microscopy on the cleaved surface of the layered superconductor 2H-NbSe2. We…
Machine-learning interatomic potentials (MLIPs) enable large-scale atomistic simulations at moderate computational cost while retaining ab initio accuracy. MLIPs trained on coupled-cluster data, particularly CCSD(T), have emerged as a…
In the presence of multiple bands, well-known electronic instabilities may acquire new complexity. While multiband superconductivity is the subject of extensive studies, the possibility of multiband charge density waves (CDWs) has been…
Charge density waves (CDWs) are periodic modulations of the conduction electron density in solids. They are collective states that arise from intrinsic instabilities often present in low dimensional electronic systems. The layered…
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 transition-metal tetrachalcogenides are a model system to explore the conjunction of correlated electronic states such as charge density waves (CDW), with topological phases of matter. Understanding the connection between these phases…
We investigate the charge density wave (CDW) instability in single and double layers, as well as in the bulk 2H-NbSe$_{2}$. We demonstrate that the density functional theory correctly describes the metallic CDW state in the bulk…
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…
Thermal and mechanical properties of two-dimensional nanomaterials are commonly studied by calculating force constants using the density functional theory (DFT) and classical molecular dynamics (MD) simulations. Although DFT simulations…
Many-body instabilities and topological physics are two attractive topics in condensed matter physics. It is intriguing to explore the interplay between these phenomena in a single quantum material. Here, using the prototypical charge…
The nature of superconductivity in BiS$_2$-based superconductors has been controversial while ab-initio calculations proposed this system in close proximity to a charge-density-wave (CDW) phase. Using high-energy high-flux X-ray…
Two-dimensional (2D) materials that exhibit charge density waves (CDWs) have generated many research endeavors in the hopes of employing their exotic properties for various quantum-based technologies. Early investigations surrounding CDWs…
Machine learning interatomic potentials (MLIPs) can now reproduce the energy, forces and stresses of bulk materials with high accuracy compared to first-principles calculations. The description of imperfections, where coordination…
Charge density waves (CDWs) involve coupled amplitude and phase degrees of freedom, but direct access to local amplitude correlations remains experimentally challenging. Here, we report cryogenic four-dimensional scanning transmission…
Electrical transport and broadband resistance noise measurements in an ultra low frequency window (30 mHz - 8 Hz) are carried out in single nanoribbon devices of charge density wave (CDW) conductor NbSe$_{3}$. In the temperature and…
The use of machine learning interatomic potentials (MLIPs) in simulations of materials is a state-of-the-art approach, which allows achieving nearly \textit{ab initio} accuracy with orders of magnitude less computational cost.…