Related papers: First-principles DFT + GW study of the Te antisite…

The Weyl semimetal WTe$_{2}$ has shown several correlated electronic behaviors, such as the quantum spin Hall effect, superconductivity, ferroelectricity, and a possible exciton insulator state, all of which can be tuned by various physical…

Charge density waves (CDWs) in transition metal dichalcogenides are the subject of growing scientific interest due to their rich interplay with exotic phases of matter and their potential technological applications. Here, using density…

We present the G$_0$W$_0$ band structure, core levels, and deformation potential of monolayer FeSe in the paramagnetic phase based on a starting mean field of the Kohn Sham density functional theory (DFT) with the PBE functional. We find…

The charge density wave (CDW) state is a widespread phenomenon in low-dimensional metals/semimetals. The spectral weight of the associated folded bands (shadow bands) can be an intriguing trigger leading to additional Fermi surface…

Transition metal dichalcogenides have been actively studied for their intriguing charge density wave (CDW) formations and their impacts on material properties. Among these, 1T-TiSe$_2$ is well-known to exhibit a 2$\times$2$\times$2 CDW…

The La and Ce di-tellurides LaTe$_2$ and CeTe$_2$ are deep in the charge-density-wave (CDW) ground state even at 300 K. We have collected their electrodynamic response over a broad spectral range from the far infrared up to the ultraviolet.…

We report on the low-energy electronic structure of Tantalum ditelluride (1$T'$-TaTe$_2$), one of the charge density wave (CDW) materials from the group V transition metal dichalcogenides using angle-resolved photoemission spectroscopy…

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,…

We present the first direct study of charge density wave (CDW) formation in quasi-2D single layer LaTe_2 using high-resolution angle resolved photoemission spectroscopy (ARPES) and low energy electron diffraction (LEED). CDW formation is…

We investigate the nature of the 5$f$ electrons in the unconventional odd-parity superconductor UTe$_2$, focusing on the degree of covalency, localization versus itinerancy, and dominant electronic configuration. This is achieved using…

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…

For the computational prediction of core electron binding energies in solids, two distinct kinds of modelling strategies have been pursued: the $\Delta$-Self-Consistent-Field method based on density functional theory (DFT), and the GW…

The purpose of this work was to calculate the electronic band structure of Cd$_{1-x}$Fe$_x$Se. Ab-initio, calculations are performed in the Atomistix Toolkit program within the Density Functional Theory and Local Spin Density Approximation…

A charge density wave (CDW) of a nonzero ordering vector $\mathbf{q}$ couple electronic states at $\mathbf{k}$ and $\mathbf{k}+\mathbf{q}$ statically, giving rise to a reduced Brillouin zone (RBZ) due to the band folding effect. Its…

We investigate the pressure dependence of the optical properties of CeTe$_3$, which exhibits an incommensurate charge-density-wave (CDW) state already at 300 K. Our data are collected in the mid-infrared spectral range at room temperature…

The charge density wave (CDW), a translational symmetry breaking electronic liquid, plays a pivotal role in correlated quantum materials, such as high-T$_c$ superconductors and topological semimetals. Recently, CDWs that possibly intertwine…

We propose a new method of calculating electronically excited states that combines a density functional theory (DFT) based ground state calculation with a linear response treatment that employs approximations used in the time-dependent…

Charge density wave (CDW) orders in YNiC2 are studied by means of combined experimental and computational techniques. On the experimental side, single crystals grown by the floating-zone method were examined by means of X-ray diffraction,…

We observe unidirectional charge density wave ordering on the cleaved surface of TbTe3 with a Scanning Tunneling Microscope at ~6 K. The modulation wave-vector q_{CDW} as determined by Fourier analysis is 0.71 +/- 0.02 * 2 pi/c. (Where c is…

Charge density wave (CDW) is a collective quantum phenomenon with a charge modulation in solids1-2. Condensation of electron and hole pairs with finite momentum will lead to such an ordered state3-7. However, lattice symmetry breaking…