Related papers: Charge density waves and surface Mott insulators f…
We reexamine the ground-state phase diagram of the one-dimensional half-filled Hubbard model with on-site and nearest-neighbor repulsive interactions. We calculate second-order corrections to coupling constants in the g-ology to show that…
The trivalent alkali fullerides A$_3$C$_{60}$, where C$_{60}$ are a well established family of molecular superconductors. The electron pairing has s-wave symmetry and is due to standard electron-phonon coupling, in particular by Jahn-Teller…
The ground state of Sn/Si(111) and Sn/Ge(111) surface $\alpha$-phases is reexamined theoretically, based on $ab-initio$ calculations where correlations are approximately included through the orbital dependence of the Coulomb interaction (in…
We investigate the controversial case of charge-density-wave (CDW) order in single layer 1T-TiSe$_2$ by employing the density functional perturbation theory with on-site Hubbard interactions. The results emphasize the crucial role of…
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 study the structural, electronic and vibrational properties of single-layer 1TNbSe$_2$ from first principles. Within the generalized gradient approximation, the 1T polytype is highly unstable with respect to the 2H. The DFT+U method…
We obtain the phase diagram of the half-filled two-dimensional Hubbard model on a square lattice in the presence of Einstein phonons. We find that the interplay between the instantaneous electron-electron repulsion and electron-phonon…
We present a theoretical study of a model heterostructure for a Mott-insulator sandwiched between two band insulators, such as SrTiO3/LaTiO3. Particular emphasis is given on the interplay between magnetism and inhomogeneous charge…
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…
We analyze superconducting instabilities in 3D and 2D extended Hubbard model with Coulomb repulsion between electrons on neighboring sites in the limit of low electron density ($n_{el} \rightarrow 0$) on simple cubic (square) lattice. We…
The appearance of an incommensurate charge density wave vector $\textbf{Q} = (Q_x,Q_y)$ on multiband intermetallic systems presenting commensurate charge density wave (CDW) and superconductivity (SC) orders is investigated. We consider a…
We study stripe orders of charge and spin density waves in the extended Hubbard model with the nearest-neighbor Coulomb repulsion V within the mean field approximation. We obtain V vs. T(temperature) phase diagram for the on-site Coulomb…
ZrTe$_3$ is a prototypical quasi-one-dimensional compound undergoing a charge density wave transition via a very sharp Kohn anomaly in phonon momentum space. While Fermi surface geometry has long been considered the primary driver of the…
We study the formation of charge density waves (CDW's) in one-dimensional Hubbard superlattices, modeled by a repeated pattern of repulsive (U>0) and free (U=0) sites. By means of Lanczos diagonalizations for the ground state, we calculate…
Motivated by the stripe developments in cuprates, we review some analytical results of our studies of the charge- and spin density modulations (CDW and SDW) in a weakly coupled one dimensional repulsive electron system on a lattice. It is…
Monolayer 2H-NbSe2 has recently been shown to be a 2-dimensional superconductor, with a coexisting charge-density wave (CDW). As both phenomena are intimately related to electron-lattice interaction, a natural question is how…
We study the Extended Bose-Hubbard Model with a three-body onsite interaction. Using an exact diagonalization method and a variational Matrix Product States algorithm, \emph{Alps mps-optim}, we compute and analyse the energy charge gap and…
Based on first-principles calculations, we explored the interplay between stacking effect and electron-electron correlation in the layered vdW material of bulk 1T-NbS2 with a 2D charge density wave (CDW) order. Without considering the…
We present the results of Quantum Monte Carlo calculations for a two dimensional frustrated Hubbard model coupled to bond phonons. The model is known to have a d-wave superconducting ground state in the limit of large phonon frequency for…
Charge density wave (CDW) implies a periodic modulation of the charge density. Typically observed in metallic systems, CDWs arise from Fermi surface instabilities, resulting in the total or partial gapping of the Fermi surface. Here, we…