Charge order induced by electron-lattice interaction in NaV2O5

We present Density Matrix Renormalization Group calculations of the ground-state properties of quarter-filled ladders including static electron-lattice coupling. Isolated ladders and two coupled ladders are considered, with model parameters obtained from band-structure calculations for $\alpha^\prime$-NaV$_2$O$_5$. The relevant Holstein coupling to the lattice causes static out-of-plane lattice distortions, which appear concurrently with a charge-ordered state and which exhibit the same zigzag pattern observed in experiments. The inclusion of electron-lattice coupling drastically reduces the critical nearest-neighbor Coulomb repulsion $V_c$ needed to obtain the charge-ordered state. No spin gap is present in the ordered phase. The charge ordering is driven by the Coulomb repulsion and the electron-lattice interaction. With electron-lattice interaction, coupling two ladders has virtually no effect on $V_c$ or on the characteristics of the charge-ordered phase. At V=0.46\eV, a value consistent with previous estimates, the lattice distortion, charge gap, charge order parameter, and the effective spin coupling are in good agreement with experimental data for NaV$_2$O_5$.Comment: 7 pages, 9 figure

Singlet-triplet splitting, correlation and entanglement of two electrons in quantum dot molecules

Starting with an accurate pseudopotential description of the single-particle states, and following by configuration-interaction treatment of correlated electrons in vertically coupled, self-assembled InAs/GaAs quantum dot-molecules, we show how simpler, popularly-practiced approximations, depict the basic physical characteristics including the singlet-triplet splitting, degree of entanglement (DOE) and correlation. The mean-field-like single-configuration approaches such as Hartree-Fock and local spin density, lacking correlation, incorrectly identify the ground state symmetry and give inaccurate values for the singlet-triplet splitting and the DOE. The Hubbard model gives qualitatively correct results for the ground state symmetry and singlet-triplet splitting, but produces significant errors in the DOE because it ignores the fact that the strain is asymmetric even if the dots within a molecule are identical. Finally, the Heisenberg model gives qualitatively correct ground state symmetry and singlet-triplet splitting only for rather large inter-dot separations, but it greatly overestimates the DOE as a consequence of ignoring the electron double occupancy effect.Comment: 13 pages, 9 figures. To appear in Phys. Rev.

Preferred Measurements: Optimality and Stability in Quantum Parameter Estimation

We explore precision in a measurement process incorporating pure probe states, unitary dynamics and complete measurements via a simple formalism. The concept of `information complement' is introduced. It undermines measurement precision and its minimization reveals the system properties at an optimal point. Maximally precise measurements can exhibit independence from the true value of the estimated parameter, but demanding this severely restricts the type of viable probe and dynamics, including the requirement that the Hamiltonian be block-diagonal in a basis of preferred measurements. The curvature of the information complement near a globally optimal point provides a new quantification of measurement stability.Comment: 4 pages, 2 figures, in submission. Substantial Extension and replacement of arXiv:0902.3260v1 in response to Referees' remark

Decoupling method for dynamical mean field theory calculations

In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the impurity solver against exact diagonalization, and apply the method to study the infinite $U$ Hubbard model, the periodic Anderson model and the $pd$ model. This simple and numerically efficient approach yields the spectra expected for strongly correlated materials, with a quasiparticle peak and a Hubbard band. It works in a large range of parameters, and therefore can be used for the exploration of real materials using LDA+DMFT.Comment: 30 pages, 7 figure

High Resolution X-Ray Spectra of Capella: Initial Results from the Chandra High Energy Transmission Grating Spectrometer

High resolution spectra of the active binary Capella (G8 III + G1 III) covering the energy range 0.4-8.0 keV (1.5-30 Angstroms) show a large number of emission lines, demonstrating the performance of the HETGS. A preliminary application of plasma diagnostics provides information on coronal temperatures and densities. Lines arising from different elements in a range of ionization states indicate that Capella has plasma with a broad range of temperatures, from log T = 6.3 to 7.2, generally consistent with recent results from observations with the Extreme Ultraviolet Explorer (EUVE) and the Advanced Satellite for Cosmology and Astrophysics (ASCA). The electron density is determined from He-like O VII lines, giving the value N_e=10^10 cm^-3 at T_e=2*10^6 K; He-like lines formed at higher temperatures give only upper limits to the electron density. The density and emission measure from O VII lines together indicate that the coronal loops are significantly smaller than the stellar radius.Comment: 9 pages, 3 figures (1 color) accepted for ApJ