Improved Mean-Field Scheme for the Hubbard Model

Ground state energies and on-site density-density correlations are calculated for the 1-D Hubbard model using a linear combination of the Hubbard projection operators. The mean-field coefficients in the resulting linearized Equations of Motion (EOM) depend on both one-particle static expectation values as well as static two-particle correlations. To test the model, the one particle expectation values are determined self-consistently while using Lanczos determined values for the two particle correlation terms. Ground state energies and on-site density-density correlations are then compared as a function of $U$ to the corresponding Lanczos values on a 12 site Hubbard chain for 1/2 and 5/12 fillings. To further demonstrate the validity of the technique, the static correlation functions are also calculated using a similar EOM approach, which ignores the effective vertex corrections for this problem, and compares those results as well for a 1/2 filled chain. These results show marked improvement over standard mean-field techniques.Comment: 10 pages, 3 figures, text and figures as one postscript file -- does not need to be "TeX-ed". LA-UR-94-294

Superconductivity and spin-glass like behavior in system with Pd sheet sandwiched between graphene sheets

Pd-metal graphite (Pd-MG) has a layered structure, where each Pd sheet is sandwiched between adjacent graphene sheets. DC magnetization and AC magnetic susceptibility of Pd-MG have been measured using a SQUID magnetometer. Pd-MG undergoes a superconducting transition at $T_{c}$ ($= 3.63 \pm 0.04$ K). The superconductivity occurs in Pd sheets. The relaxation of $M_{ZFC}$ (aging), which is common to spin glass systems, is also observed below $T_{c}$. The relaxation rate $S(t)$ shows a peak at a characteristic time $t_{cr}$, which is longer than a wait time $t_{w}$. The irreversibility between $\chi_{ZFC}$ and $\chi_{FC}$ occurs well above $T_{c}$. The susceptibility $\chi_{FC}$ obeys a Curie-Weiss behavior with a negative Curie-Weiss temperature ($-13.1 \leq \Theta \leq -5.4$ K). The growth of antiferromagnetic order is limited by the disordered nature of nanographites, forming spin glass-like behavior at low temperatures in graphene sheets.Comment: 21 pages, 15 figures; submitted to J. Phys.: Condensed Matte

Nature of 45 degree vortex lattice reorientation in tetragonal superconductors

The transformation of the vortex lattice in a tetragonal superconductor which consists of its 45 degree reorientation relative to the crystal axes is studied using the nonlocal London model. It is shown that the reorientation occurs as two successive second order (continuous) phase transitions. The transition magnetic fields are calculated for a range of parameters relevant for borocarbide superconductors in which the reorientation has been observed

Effects of the Lattice Discreteness on a Soliton in the Su-Schrieffer-Heeger Model

In this paper we analytically study the effects of the lattice discreteness on the electron band in the SSH model. We propose a modified version of the TLM model which is derived from the SSH model using a continuum approximation. When a soliton is induced in the electron-lattice system, the electron scattering states both at the bottom of the valence band and the top of the conduction band are attracted to the soliton. This attractive force induces weakly localized electronic states at the band edges. Using the modified version of the TLM model, we have succeeded in obtaining analytical solutions of the weakly localized states and the extended states near the bottom of the valence band and the top of the conduction band. This band structure does not modify the order parameters. Our result coincides well with numerical simulation works.Comment: to be appear in J.Phys.Soc.Jpn. Figures should be requested to the author. They will be sent by the conventional airmai

Temperature Dependence of the Flux Line Lattice Transition into Square Symmetry in Superconducting LuNi2_2B2_2C

We have investigated the temperature dependence of the H || c flux line lattice structural phase transition from square to hexagonal symmetry, in the tetragonal superconductor LuNi_2B_2C (T_c = 16.6 K). At temperatures below 10 K the transition onset field, H_2(T), is only weakly temperature dependent. Above 10 K, H_2(T) rises sharply, bending away from the upper critical field. This contradicts theoretical predictions of H_2(T) merging with the upper critical field, and suggests that just below the H_c2(T)-curve the flux line lattice might be hexagonal.Comment: 4 pages, 3 figure

Translational Correlations in the Vortex Array at the Surface of a Type-II Superconductor

We discuss the statistical mechanics of magnetic flux lines in a finite-thickness slab of type-II superconductor. The long wavelength properties of a flux-line liquid in a slab geometry are described by a hydrodynamic free energy that incorporates the boundary conditions on the flux lines at the sample's surface as a surface contribution to the free energy. Bulk and surface weak disorder are modeled via Gaussian impurity potentials. This free energy is used to evaluate the two-dimensional structure factor of the flux-line tips at the sample surface. We find that surface interaction always dominates in determining the decay of translational correlations in the asymptotic long-wavelength limit. On the other hand, such large length scales have not been probed by the decoration experiments. Our results indicate that the translational correlations extracted from the analysis of the Bitter patterns are indeed representative of behavior of flux lines in the bulk.Comment: 23 pages, 1 figure (not included), harvmac.tex macro needed (e-mail requests to [email protected] SU-CM-92-01

Stable and Metastable vortex states and the first order transition across the peak effect region in weakly pinned 2H-NbSe_2

The peak effect in weakly pinned superconductors is accompanied by metastable vortex states. Each metastable vortex configuration is characterized by a different critical current density J_c, which mainly depends on the past thermomagnetic history of the superconductor. A recent model [G. Ravikumar, et al, Phys. Rev. B 61, R6479 (2000)] proposed to explain the history dependent J_c postulates a stable state of vortex lattice with a critical current density J_c^{st}, determined uniquely by the field and temperature. In this paper, we present evidence for the existence of the stable state of the vortex lattice in the peak effect region of 2H-NbSe_2. It is shown that this stable state can be reached from any metastable vortex state by cycling the applied field by a small amplitude. The minor magnetization loops obtained by repeated field cycling allow us to determine the pinning and "equilibrium" properties of the stable state of the vortex lattice at a given field and temperature unambiguously. The data imply the occurence of a first order phase transition from an ordered phase to a disordered vortex phase across the peak effect.Comment: 20 pages, 10 figures. Corresponding author: S. Ramakrishna

Pressure Tuning of the Charge Density Wave in the Halogen-Bridged Transition-Metal (MX) Solid Pt2Br6(NH3)4Pt_2Br_6(NH_3)_4

We report the pressure dependence up to 95 kbar of Raman active stretching modes in the quasi-one-dimensional MX chain solid $Pt_2Br_6(NH_3)_4$. The data indicate that a predicted pressure-induced insulator-to-metal transition does not occur, but are consistent with the solid undergoing either a three-dimensional structural distortion, or a transition from a charge-density wave to another broken-symmetry ground state. We show that such a transition cacan be well-modeled within a Peierls-Hubbard Hamiltonian. 1993 PACS: 71.30.+h, 71.45.Lr, 75.30.Fv, 78.30.-j, 81.40.VwComment: 4 pages, ReVTeX 3.0, figures available from the authors on request (Gary Kanner, [email protected]), to be published in Phys Rev B Rapid Commun, REVISION: minor typos corrected, LA-UR-94-246

Accounting for both electron--lattice and electron--electron coupling in conjugated polymers: minimum total energy calculations on the Hubbard--Peierls hamiltonian

Minimum total energy calculations, which account for both electron--lattice and electron--electron interactions in conjugated polymers are performed for chains with up to eight carbon atoms. These calculations are motivated in part by recent experimental results on the spectroscopy of polyenes and conjugated polymers and shed light on the longstanding question of the relative importance of electron--lattice vs. electron--electron interactions in determining the properties of these systems.Comment: 6 pages, Plain TeX, FRL-PSD-93GR

Solitonic approach to the dimerization problem in correlated one-dimensional systems

Using exact diagonalizations we consider self-consistently the lattice distortions in odd Peierls-Hubbard and spin-Peierls periodic rings in the adiabatic harmonic approximation. From the tails of the inherent spin soliton the dimerization d_\infty of regular even rings is found by extrapolations to infinite ring lengths. Considering a wide region of electron-electron onsite interaction values U>0 compared with the band width 4t_0 at intermediately strong electron-phonon interaction g, known relationships obtained by other methods are reproduced and/or refined within one unified approach: such as the maximum of d_\infty at U \simeq 3 t_0 for g \simeq 0.5 and its shift to zero for g \to g_c \approx 0.7. The hyperbolic tangent shape of the spin soliton is retained for any U and g <~ 0.6. In the spin-Peierls limit the d_\infty are found to be in agreement with results of DMRG computations.Comment: 4 pages, 4 figures, Physical Review B, Rapid Communications, v. 56 (1997) accepte