相关论文: Exploring Charge Density Waves in two-dimensional …
One-dimensional (1D) metallic mirror-twin boundaries (MTBs) in monolayer transition metal dichalcogenides (TMDCs) exhibit a periodic charge modulation and provide an ideal platform for exploring collective electron behavior in the confined…
Two-dimensional (2D) ferromagnetic charge density wave (CDW), an exotic quantum state for exploring the intertwining effect between correlated charge and spin orders in 2D limit, has not been discovered in the experiments yet. Here, we…
Charge-density-wave (CDW) is a modulation of the conduction electron density in a conductor. Under low temperature, it can spontaneously happen in some compounds that consist of anisotropic one-dimensional crystal structures, via a strong…
Despite the weak nature of interlayer forces in transition metal dichalcogenide (TMD) materials, their properties are highly dependent on the number of layers in the few-layer two-dimensional (2D) limit. Here, we present a combined scanning…
Titanium MXenes are two-dimensional inorganic structures composed of titanium and carbon or nitrogen elements, with distinctive electronic, thermal and mechanical properties. Despite the extensive experimental investigation, there is a…
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…
Transition metal dichalcogenides are rich in their structural phases, e.g. 1T-TaS2 and 1T-TaSe2 form charge density wave (CDW) under low temperature with interesting and exotic properties. Here, we present a systematic study of different…
Machine learning interatomic potentials (MLIPs) have become widely used tools in atomistic simulations. For much of the history of this field, the most commonly employed architectures were based on short-ranged atomic energy contributions,…
Combination of low-dimensionality and electron correlation is vital for exotic quantum phenomena such as the Mott-insulating phase and high-temperature superconductivity. Transition-metal dichalcogenide (TMD) 1T-TaS2 has evoked great…
A density functional theory study of NbSe$_2$ single-layers in the normal non-modulated and the $3\times3$ CDW states is reported. We show that, in the single layer, the CDW barely affects the Fermi surface of the system, thus ruling out a…
Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW) interactions. However, accurately modeling their thermal…
The capability to isolate one to few unit-cell thin layers from the bulk matrix of layered compounds opens fascinating prospects to engineer novel electronic phases. However, a comprehensive study of the thickness dependence and of…
We discovered the chirality of charge density waves (CDW) in 1T-TiSe$_2$ by using scanning tunnelling microscopy (STM) and optical ellipsometry. We found that the CDW intensity becomes $I{a_1}:I{a_2}:I{a_3} = 1:0.7 \pm 0.1:0.5 \pm 0.1$,…
The charge density wave (CDW), as a hallmark of vanadium-based kagome superconductor AV3Sb5 (A = K, Rb, Cs), has attracted intensive attention. However, the fundamental controversy regarding the underlying mechanism of CDW therein persists.…
We investigate the microscopic mechanisms of the charge-density-wave (CDW) formation in a monolayer TiSe$_2$ using a realistic multiorbital $d$-$p$ model with electron-phonon coupling and intersite Coulomb (excitonic) interactions. First,…
In recent years, non-intrusive load monitoring (NILM) technology has attracted much attention in the related research field by virtue of its unique advantage of utilizing single meter data to achieve accurate decomposition of device-level…
We investigate carrier and collective mode dynamics in 2H-NbSe$_2$ using time-resolved optical pump-probe spectroscopy and compare the results with first-principle calculations. Broadband ultrafast reflectivity studies of 2H-NbSe$_2$ in a…
We present a novel interpretable machine learning model to accurately predict complex rippling deformations of Multi-Walled Carbon Nanotubes(MWCNTs) made of millions of atoms. Atomistic-physics-based models are accurate but computationally…
We investigate the effects of the in-plane biaxial strain and charge doping on the charge density wave (CDW) order of monolayer $1T$-TiSe$_2$ by using the first-principles calculations. Our results show that the tensile strain can…
Nonlinear transport properties are reported in the layered DyTe$_3$ compound at temperature below the charge-density-wave (CDW) transition, $T_P=302$ K. Conductivity is increasing sharply above the threshold electric field. Under…