Related papers: Dimerization-Induced Cross-Layer Quasi-Two-Dimensi…
We introduce a new approach for the correlation energy of one- and two-valley two-dimensional electron gas (2DEG) systems. Our approach is based on a random phase approximation at high densities and a classical approach at low densities,…
The physical properties and structural evolution of the MX$_2$-type solid solution Au$_{1-x}$Pd$_x$Te$_2$ are reported. The end member AuTe$_2$ is a normal metal with a monoclinic distorted CdI$_2$-type structure with preformed Te-Te…
Exponentially localized surface states are the most distinctive property of a crystal with non-trivial band topology. Such surface states play a key role in characterizing topological insulators (TIs), both in theory and experiments. TIs…
Non-trivial electronic states are attracting intense attention in low-dimensional physics. Though chirality has been identified in charge states with a scalar order parameter, its intertwining with charge density waves (CDW), film thickness…
We introduce a generalizable, physics informed strategy for generating training data that enables a machine learning force field accurate over a broad range of twist angles and stacking layer numbers in moire systems. Applying this to…
We provide insights into the atomistic details of the ultrafast spatially-resolved breakdown of the insulating M1 phase in bulk VO2 employing an ab initio technique based on time-dependent density-functional theory and dynamical mean-field…
We have investigated the structural, electronic, and magnetic properties of the pyrochlore iridates Eu2Ir2O7 and Pr2Ir2O7 using a combination of resonant elastic x-ray scattering, x-ray powder diffraction, and resonant inelastic x-ray…
Twisted bilayer systems host a wealth of emergent phenomena, such as flat-band superconductivity, ferromagnetism, and ferroelectricity, arising from moir\'e superlattices and unconventional interlayer coupling. Despite their central role,…
Novel quasi two dimensional typically layered semimetals offer a unique opportunity to control the density and even the topology of the electronic matter. In intercalated MoTe2 type II Weyl semimetal the tilt of the dispersion relation…
We report the electronic structure, electric and thermal transport properties of Ru$_{1-x}$Ir$_{x}$Se$_2$ ($x \leq 0.2$). RuSe$_2$ is a semiconductor that crystallizes in a cubic pyrite unit cell. The Seebeck coefficient of RuSe$_2$ exceeds…
Moir\'e transition metal dichalcogenide (TMD) systems provide a tunable platform for studying electron-correlation driven quantum phases. Such phases have so far been found at rational fillings of the moir\'e superlattice, and it is…
Transition metal dichalcogenide (TMD) bilayers with an interlayer twist exhibit a moire super-period, whose effects can manifest in both structural and electronic properties. Atomic displacements can lead to reconstruction into domains of…
Recent results have demonstrated an exceptionally high dielectric constant in the range 200 K-330 K in a crystalline tianium oxide : Rb2Ti2O5. In this article, the possibility of a structural transition giving rise to ferroelectricity is…
Crystal structure of spinel compound CuIr$_{2}$S$_{4}$ was examined by powder X-ray diffraction for the insulating phase below the metal-insulator transition at $T_{MI}$ = 230 K. The superstructure spots are reproduced by considering the…
We visualize the topological ladder and band inversions in PtTe$_2$ using spin-polarized photoemission spectroscopy augmented by three-dimensional momentum imaging. This approach enables the detection of spin polarization in dispersive…
We report first principles calculations, within density functional theory, of copper intercalated titanium diselenides, CuxTiSe2, for values of x ranging from 0 to 0.11. The effect of intercalation on the energy bands and densities of…
Metallic transition metal dichalcogenides (TMDs) have exhibited various exotic physical properties and hold the promise of novel optoelectronic and topological devices applications. However, the synthesis of metallic TMDs is based on…
Van der Waals materials enable the construction of atomically sharp interfaces between compounds with distinct crystal and electronic properties. This is dramatically exploited in moir\'e systems, where a lattice mismatch or twist between…
Usually, the octet rule has limited the 2D materials by elements within groups IIIA_VA, whose outmost electrons can be considered to form hybridization orbit by s wave and p wave. The hybridization orbits can accommodate all the outmost…
Dimer models are well known as prototypes for locally constrained physics. They describe systems in which every site on a lattice must be attached to one dimer. Loop models are an extension of this idea, with the constraint that two dimers…