相关论文: Exploring Charge Density Waves in two-dimensional …
Reducing the lateral scale of two-dimensional (2D) materials to one-dimensional (1D) has attracted substantial research interest not only to achieve competitive electronic device applications but also for the exploration of fundamental…
Two-dimensional (2D) magnetic materials are essential for the development of the next-generation spintronic technologies. Recently, layered van der Waals (vdW) compound MnBi2Te4 (MBT) has attracted great interest, and its 2D structure has…
We report a significant enhancement of superconducting transition temperature ($\textit{T}_\textrm{c}$) of transition metal dichalcogenide (TMD) superconductor $\textrm{NbTe}_2$ from 0.56 K to 2.8 K. Detailed x-ray structure analysis…
The ternary chalcogenide Bi2Rh3Se2 was found to be a charge density wave (CDW) superconductor with a 2*2 periodicity. The key questions regarding the underlying mechanism of CDW state and its interplay with lattice and electronic properties…
Penta-NiN2, a novel pentagonal 2D sheet with potential nanoelectronic applications, is investigated in terms of its lattice thermal conductivity, stability, and mechanical behavior. A deep learning interatomic potential (DLP) is firstly…
The relaxation of atomic positions to their optimal structural arrangement is crucial for understanding the emergence of new physical behavior in long scale superstructures in twisted bilayers of two-dimensional materials. The amount of…
We study the formation of charge density waves (CDW's) in one-dimensional Hubbard superlattices, modeled by a repeated pattern of repulsive (U>0) and free (U=0) sites. By means of Lanczos diagonalizations for the ground state, we calculate…
NbSe$_2$ is a remarkable superconductor in which charge-density order coexists with pairing correlations at low temperatures. Here, we study the interplay of magnetic adatoms and their Yu-Shiba-Rusinov (YSR) bound states with the charge…
Charge density wave, or CDW, is usually associated with Fermi surfaces nesting. We here report a new CDW mechanism discovered in a 2H-structured transition metal dichalcogenide, where the two essential ingredients of CDW are realized in…
Machine Learning Interatomic Potentials (MLIP) are a novel in silico approach for molecular property prediction, creating an alternative to disrupt the accuracy/speed trade-off of empirical force fields and density functional theory (DFT).…
The phase ordering kinetics of emergent orders in correlated electron systems is a fundamental topic in non-equilibrium physics, yet it remains largely unexplored. The intricate interplay between quasiparticles and emergent order-parameter…
With the rapid development of energy storage technology, high-performance solid-state electrolytes (SSEs) have become critical for next-generation lithium-ion batteries. These materials require high ionic conductivity, excellent…
Supported nanoparticle catalysts are widely used in the chemical industry. Computational modeling of supported nanoparticles based on density functional theory (DFT) often involves structural searches of stable local minimum energy…
Machine learning interatomic potentials (MLIPs) enable the accurate simulation of materials at larger sizes and time scales, and play increasingly important roles in the computational understanding and design of materials. However, MLIPs…
The interplay among various collective electronic states such as superconductivity (SC) and charge density wave (CDW) is of tremendous significance in low-dimensional transition metal dichalcogenides. Thus far, a consensus on the…
TiSe2 is a known Topological semimetal (TSM) having both the semi-metallic and topological characters simultaneously and the Charge density wave (CDW) at below 200K. In the current short article, we study the impact of Pd addition on the…
Accurately modeling the structural reconstruction and thermodynamic behavior of van der Waals (vdW) heterostructures remains a significant challenge due to the limitations of conventional force fields in capturing their complex mechanical,…
We report the observation of a pronounced third-order nonlinear Hall effect (NLHE) in 1$T$-phase VSe$_2$ nanosheets, synthesized using chemical vapor deposition (CVD). The nanosheets exhibit a charge density wave (CDW) transition at…
Conductive domain walls (CDWs) in the uniaxial ferroelectric lithium niobate (LiNbO$_3$, LN) have attracted a lot of interest as potential elements in 2D nanoelectronics, due to their orders-of-magnitude larger electronic AC and DC…
Recent advancements have established self-intercalation as a powerful technique for manipulating quantum material properties, with precisely controllable intercalation concentrations. Given the inherently rich phase diagrams of transition…