Related papers: First-principles DFT + GW study of the Te antisite…
The charge density wave (CDW) in ZrTe3 is quenched in samples with small amount of Te iso-electronically substituted by Se. Using angle-resolved photoemission spectroscopy we observe subtle changes in the electronic band dispersions and…
We present a study of the electrical and thermal conductivities of the $d$-density wave (DDW) state in an external magnetic field $B$ in the low temperature regime and in the presence of impurities. We show that in the zero temperature…
Recently, intriguing physical properties have been unraveled in anisotropic semiconductors, in which the in-plane electronic band structure anisotropy often originates from the low crystallographic symmetry. The atomic chain is the ultimate…
Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), an experimental and theoretical study of changes in the electronic structure (dispersion dependencies) and corresponding modification of the energy…
Axion electrodynamics in condensed matter could emerge from the formation of charge density waves (CDWs) in Weyl semimetals. (TaSe$_4$)$_2$I was proposed to be the first material platform for realizing axionic CDW that may host topological…
Using angle-resolved photoemission spectroscopy (ARPES) and low-energy electron diffraction (LEED), together with density-functional theory (DFT) calculation, we report the formation of charge density wave (CDW) and its interplay with the…
We have computed the correlated electronic structure of FeSe and its dependence on the A1g mode versus compression. Using the self-consistent density functional theory - dynamical mean field theory (DFT-DMFT) with continuous time quantum…
The charge density wave (CDW) in 1T-TiSe2 accompanied by the periodic lattice distortion has a nontrivial symmetry configuration. The symmetry is important as an indication of the mechanism and a cue for experimental probes. We examine the…
Density functional theory (DFT) has greatly expanded our ability to affordably compute and understand electronic ground states, by replacing intractable {\em ab initio} calculations by models based on paradigmatic physics from high- and…
Understanding collective electronic states such as superconductivity and charge density waves is pivotal for fundamental science and applications. The layered transition metal dichalcogenide 1T-TiSe2 hosts a unique charge density wave (CDW)…
We present an angle-resolved photoemission (ARPES) study on the layered transition-metal dichalcogenide 1{\em T}-TaS$_{1.2}$Se$_{0.8}$ in the metallic commensurate charge-density-wave (CDW) phase. A model calculation of the spectral…
We study the charge-density wave phase in $\textup{TiSe}_2$ by using first principle calculations. We show that, regardless of the local functional used and as long as the cell parameters are in agreement with the experiment,…
Density functional theory (DFT) and thermal DFT (thDFT) calculations were used to evaluate the energy band structure, bandgap, and the total energy of various graphene quantum dots (GQDs). The DFT calculations were performed using local…
The combined effect of a lateral square superlattice potential and the Coulomb interaction on the ground state of a two-dimensional electron gas in a perpendicular magnetic field is studied for different rational values of $\Gamma$, the…
In this work, we employ hybrid and generalized gradient approximation (GGA) level density functional theory (DFT) calculations to investigate the convergence of surface properties and band structure of rutile titania (TiO$_2$) nanoparticles…
Topological physics and strong electron-electron correlations in quantum materials are typically studied independently. However, there have been rapid recent developments in quantum materials in which topological phase transitions emerge…
Tuneable electronic properties in transition metal dichalcogenides (TMDs) are essential to further their use in device applications. Here, we present a comprehensive scanning tunnelling microscopy and spectroscopy study of a doping-induced…
Charge density waves (CDWs) are understood in great details in one dimension, but they remain largely enigmatic in two dimensional systems. In particular, numerous aspects of the associated energy gap and the formation mechanism are not…
The electronic structure of the zero-gap two-dimensional graphene has a charge neutrality point exactly at the Fermi level that limits the practical application of this material. There are several ways to modify the Fermi-level-region of…
$1T$-TiSe$_2$ is believed to posses a soft electronic mode, i.e., plasmon or exciton, that might be responsible for the exciton condensation and charge-density-wave (CDW) transition. Here, we explore collective electronic excitations in…