相关论文: First-principles DFT + GW study of the Te antisite…

The interplay between electronic and lattice degrees of freedom is fundamental to charge density wave (CDW) formation, yet the microscopic origin often remains elusive. Here, we investigate the transient optical response of the…

Low-dimensional electron systems often show a delicate interplay between electron-phonon and electron-electron interactions, giving rise to interesting quantum phases such as the charge density wave (CDW) and magnetism. Using the…

We report quasiparticle-energy calculations of the electronic bandstructure as measured by valence-band photoemission for selected II-VI compounds and group-III-nitrides. By applying GW as perturbation to the ground state of the fictitious,…

Correlated band theory implemented as a combination of density functional theory with exact diagonalization [DFT+U(ED)] of the Anderson impurity term with Coulomb repulsion $U$ in the open 14-orbital $5f$ shell is applied to UTe$_2$. The…

The nonequilibrium Green's function method is applied to investigate the coefficient of thermal expansion (CTE) in single-walled carbon nanotubes (SWCNT) and graphene. It is found that atoms deviate about 1% from equilibrium positions at…

Charge density wave (CDW) is a periodic modulation of electronic charge leading to a reconstruction of the lattice, an emergence of zone folded mode along with collective excitations.1 Transition metal chalcogenides have shown a great…

We measured the I(V) and dV/dI(V) characteristics of TiTe2-based point contacts (PCs) from room to helium temperatures. Features indicating the emergence of a charge density wave (CDW) were detected. They represent symmetrical relatively…

The emergence of a charge density wave (CDW) in a Weyl semimetal -- a correlated topological phase, is exceptionally rare in condensed matter systems. In this context, the quasi-one-dimensional type-III Weyl semimetal (TaSe$_4$)$_2$I…

We propose and study a two-dimensional (2D) phase of shifted charge density waves (CDW), which is constructed from an array of weakly coupled 1D CDW wires whose phases shift from one wire to the next. We show that the fully gapped bulk CDW…

CdTe and its alloy CdTeSe are widely used in optoelectronic devices, such as radiation detectors and solar cells, due to their superior electrical properties. However, the formation of defects and defect complexes in these materials can…

Using time- and angle-resolved photoemission spectroscopy with selective near- and mid-infrared photon excitations, we investigate the femtosecond dynamics of the charge density wave (CDW) phase in 1$T$-TiSe$_2$, as well as the dynamics of…

CuTe is a two-dimensional (2D) layered material, yet forming a quasi-one-dimensional (quasi-1D) charge-density-wave (CDW) along the a-axis in the ab-plane at high transition temperature $T_{CDW}=335$ K. However, the anisotropic properties…

The optical properties of the quarter-filled single-band CDW systems have been reexamined in the model with the electron-phonon coupling related to the variations of electron site energies. It appears that the indirect, electron-mediated…

We investigated the energy gap formation across the charge density wave (CDW) transition inof ZrTe_{2.98}Se_{0.02}. By employing a laser photoemission microscopy, we clearly resolved one elliptical Fermi surface (FS) around the Brillouin…

Charge density wave (CDW) states in solids bear an intimate connection to underlying fermiology. Modification of the latter by a suitable perturbation provides an attractive handle to unearth novel CDW states. Here, we combine extensive…

Typical density-functional theory calculations that wrongly predict undoped cuprates to be metallic also predict Cu-O half- and full-breathing phonon energies that are significantly softer than observed, presumably because of weak on-site…

Charge density wave (CDW), a symmetry-breaking collective phenomenon in condensed matter systems, exhibits periodic modulations of electron density coupled with lattice distortions, where the lattice plays a critical role via…

We study the dopant-induced inhomogeneity effect on the electronic properties of heavy fermionCeCoIn5using a combined approach of density functional theory (DFT) and dynamical mean-field theory (DMFT). The inhomogeneity of the hybridization…

We use density functional theory (DFT) to explore the physical properties of an $Er_{ W}$ point defect in monolayer $WS_{ 2}$. Our calculations indicate that electrons localize at the dangling bonds associated with a tungsten vacancy…

Most metallic transition metal dichalcogenides undergo charge density wave (CDW) instabilities with similar or identical ordering vectors in bulk and in single layer, albeit with different critical temperatures. Metallic 1T-TiTe$_2$ is a…