Related papers: Charge excitations in NaV$_{2}$O$_{5}$

We will present the numerical evaluation of the hopping and magnetic exchange integrals for a nearest-neighbor $t-J$ model of the quarter-filled $\alpha^\prime NaV_2O_5$ compound. The effective integrals are obtained from…

Measurements by high-resolution electron energy-loss spectroscopy (HREELS) of NaxCoO2 reveal spectral features that differ remarkably between the metallic Na0.33CoO2 and the charge-ordered insulator Na0.5CoO2. Calculations by density…

We investigate the time evolution of optical conductivity in the half-filled one-dimensional extended Hubbard model driven by a transient laser pulse, by using the time-dependent Lanczos method. Photoinduced in-gap excitations exhibit a…

We systematically investigate the mode dispersion and spectral weight of the elementary excitation spectra in one-dimensional continuum and lattice electron systems by using the RPA, the Luttinger liquid model, and the Hubbard model. Both…

We designed a high-entropy doped NASICON cathode, Na$_3$V$_{1.9}$(CrMoAlZrNi)$_{0.1}$(PO$_4$)$_3$ and investigate its electrochemical performance for sodium-ion batteries (SIBs) to understand the diffusion mechanism including distribution…

We suggest that the phase transition observed in NaV_2O_5 at T_c = 34K is not a spin-Peierls transition, but a charge ordering transition, related to the formal presence in this system of equal number of V^4+ and V^4- ions. Below T_c, V^4+…

We use Lanczos exact diagonalization to compute the exact exchange-correlation (xc) potential of a Hubbard chain with large binding energy ("the bulk") followed by a chain with zero binding energy ("the vacuum"). Several results of density…

We investigate the ultrafast optical response of the one-dimensional half-filled extended Hubbard model exposed to two successive laser pulses. By using the time-dependent Lanczos method, we find that following the first pulse, the…

In this article, we discuss the non-trivial collective charge excitations (plasmons) of the extended square-lattice Hubbard model. Using a fully non-perturbative approach, we employ the hybrid Monte Carlo algorithm to simulate the system at…

A possible ground state of NaV_2O_5 is proposed based on the Hartree approximation for both on-site and intersite Coulomb interactions. The results indicate that the intersite Coulomb interaction induces a zigzag type of charge…

Based on recent experimental evidences that the electronic charge degrees of freedom plays an essential role in the spin-Peierls--like phase transition of NaV$_2$O$_5$, we first make the mapping of low-energy electronic states of the…

Using the Constrained Path Monte Carlo (CPMC) method, we simulated the two-dimensional, three-band Hubbard model to study pairing, charge, and spin correlations as a function of electron and hole doping and the Coulomb repulsion $V_{pd}$…

We combine well-controlled analytical and numerical methods to determine the optical conductivity of the one-dimensional Mott-Hubbard insulator at zero temperature. A dynamical density-matrix renormalization group method provides the entire…

We show that the asymmetric crystal environment of the V site in the ladder compound NaV$_{2}$O$_{5}$ leads to a strong coupling of vanadium 3d electrons to phonons. This coupling causes fluctuations of the charge on the V ions, and favors…

We study photoinduced optical responses of one-dimensional strongly correlated electron systems. The optical conductivity spectra are calculated for the ground state and a photoexcited state in the one-dimensional Hubbard model at half…

We report measurements of excitation functions for the O$^{+}-$N$_{2}$ process with the incident beam of $1-10$ keV O$^{+}$ in the ground O$^{+}(^{4}S)$ and metastable O$^{+}(^{2}D)$ and O$^{+}(^{2}P)$ states. The measurements are performed…

Vanadium dioxide is of broad interest as a spin-1/2 electron system that realizes a metal-insulator transition near room temperature, due to a combination of strongly correlated and itinerant electron physics. Here, resonant inelastic X-ray…

Transition-metal compounds pose serious challenges to first-principles calculations based on density-functional theory (DFT), due to the inability of most approximate exchange-correlation functionals to capture the localization of valence…

We investigate the ground state phase diagram of the one-dimensional ionic Hubbard model with an alternating potential at half-filling by the bosonization technique as well as by numerical diagonalization of finite systems with the Lanczos…

We present experimental results on the sub-Doppler Rydberg spectroscopy of potassium in a hot cell and cold atoms, performed with two counter-propagating laser beams of 405 nm and 980 nm in the inverted ladder-type system (4S1/2-5P3/2-nS1/2…