A New Method of the High Temperature Series Expansion

We formulate a new method of performing high-temperature series expansions for the spin-half Heisenberg model or, more generally, for SU($n$) Heisenberg model with arbitrary $n$. The new method is a novel extension of the well-established finite cluster method. Our method emphasizes hidden combinatorial aspects of the high-temperature series expansion, and solves the long-standing problem of how to efficiently calculate correlation functions of operators acting at widely separated sites. Series coefficients are expressed in terms of cumulants, which are shown to have the property that all deviations from the lowest-order nonzero cumulant can be expressed in terms of a particular kind of moment expansion. These ``quasi-moments'' can be written in terms of corresponding ``quasi-cumulants'', which enable us to calculate higher-order terms in the high-temperature series expansion. We also present a new technique for obtaining the low-order contributions to specific heat from finite clusters.Comment: 20 pages, 30 figures, to appear in J. Stat. Phy

Grand canonical Gutzwiller approximation for magnetic inhomogeneous systems

The Gutzwiller approximation (GA) for Gutzwiller-projected grand canonical wave functions with fugacity factors is investigated in detail. Our systems in general contain inhomogeneity and local magnetic moments. In deriving renormalization formulae, we also derive or estimate terms of higher powers of intersite contractions neglected in the conventional GA. We examine several different constraints, i.e., local/global spin-dependent/independent particle-number conservation. Out of the four, the local spin-dependent constraint seems the most promising at present. An improved GA derived from it agrees with the variational Monte Carlo method better than the conventional GA does. The corrections to the conventional GA can be interpreted as two-site correlation including the phase difference of configurations. Furthermore, projected quasi-particle excited states are orthogonal to each other within the GA. Using these states, spectral weights are calculated. We show that asymmetry between electron addition and removal spectra can appear by taking into account the higher powers of the intersite contractions in the case of the d-wave superconductors and the Fermi sea; the addition is smaller than the removal. However, the asymmetry is quite weak especially near the Fermi level. In contrast, projected s-wave superconductors can have the opposite asymmetry (addition larger than removal) especially near the Fermi level. In addition, formulae from the other three constraints are also derived, which may be useful depending on purposes.Comment: 18 pages. 8 figures added. Sec.II B, Sec.III F G H, Sec.IV G mainly revise

High Temperature Expansion for the SU(n) Heisenberg Model in One Dimension

Thermodynamic properties of the SU($n$) Heisenberg model in one dimension is studied by means of high-temperature expansion for arbitrary $n$. The specific heat up to $O[(\beta J)^{23}]$ and the correlation function up to $O[(\beta J)^{18}]$ are derived with $\beta J$ being the antiferromagnetic exchange in units of temperature. It is found for $n>2$ that the specific heat shows a shoulder in the high-temperature side of a peak. The origin of this structure is clarified by deriving the temperature dependence of the correlation function. With decreasing temperature, the short-range correlation with two-site periodicity develops first, and then another correlation with $n$-site periodicity at lower temperature. This behavior is in contrast to that of the inverse square interaction model, where the specific heat shows a single peak according to the exact solution. Our algorithm has an advantage that neither computational time nor memory depends on the multiplicity $n$ per site; the series coefficients are obtained as explicit functions of $n$.Comment: 4 pages including 4 PS-figures, submitted to J. Phys. Soc. Jp

Renormalization of transition matrix elements of particle number operators due to strong electron correlation

Renormalization of non-magnetic and magnetic impurities due to electron double occupancy prohibition is derived analytically by an improved Gutzwiller approximation. Non-magnetic impurities are effectively weakened by the same renormalization factor as that for the hopping amplitude, whereas magnetic impurities are strengthened by the square root of the spin-exchange renormalization factor, in contrast to results by the conventional Gutzwiller approximation. We demonstrate it by showing that transition matrix elements of number operators between assumed excited states and between an assumed ground state and excited states are renormalized differently than diagonal matrix elements. Deviation from such simple renormalization with a factor is also discussed. In addition, as related calculation, we correct an error in treatment of renormalization of charge interaction in the literature. Namely, terms from the second order of the transition matrix elements are strongly suppressed. Since all these results do not depend on the signs of impurity potential or charge interaction parameter, they are valid both in attractive and repulsive cases.Comment: 12 page

The cluster glass state in the two-dimensional extended t-J model

The recent observation of an electronic cluster glass state composed of random domains with unidirectional modulation of charge density and/or spin density on Bi_{2}Sr_{2}CaCu_{2}O_{8+\delta} reinvigorates the debate of existence of competing interactions and their importance in high temperature superconductivity. By using a variational approach, here we show that the presence of the cluster glass state is actually an inherent nature of the model based on the antiferromagnetic interaction (J) only, i.e. the well known t-J model. There is no need yet to introduce a competing interaction to understand the existence of the cluster glass state. The long-range pairing correlation is not much influenced by the disorder in the glass state which also has nodes and linear density of states. In the antinodal region, the spectral weight is almost completely suppressed. The modulation also produces subgap structures inside the "coherent" peaks of the local density of states.Comment: 9 pages, 5 figures, submitted to PR

On the evaluation of matrix elements in partially projected wave functions

We generalize the Gutzwiller approximation scheme to the calculation of nontrivial matrix elements between the ground state and excited states. In our scheme, the normalization of the Gutzwiller wave function relative to a partially projected wave function with a single non projected site (the reservoir site) plays a key role. For the Gutzwiller projected Fermi sea, we evaluate the relative normalization both analytically and by variational Monte-Carlo (VMC). We also report VMC results for projected superconducting states that show novel oscillations in the hole density near the reservoir site

Thermodynamic properties of ferromagnetic mixed-spin chain systems

Using a combination of high-temperature series expansion, exact diagonalization and quantum Monte Carlo, we perform a complementary analysis of the thermodynamic properties of quasi-one-dimensional mixed-spin systems with alternating magnetic moments. In addition to explicit series expansions for small spin quantum numbers, we present an expansion that allows a direct evaluation of the series coefficients as a function of spin quantum numbers. Due to the presence of excitations of both acoustic and optical nature, the specific heat of a mixed-spin chain displays a double-peak-like structure, which is more pronounced for ferromagnetic than for antiferromagnetic intra-chain exchange. We link these results to an analytically solvable half-classical limit. Finally, we extend our series expansion to incorporate the single-ion anisotropies relevant for the molecular mixed-spin ferromagnetic chain material MnNi(NO$_{2}$)$_{4}$(ethylenediamine)$_{2}$, with alternating spins of magnitude 5/2 and 1. Including a weak inter-chain coupling, we show that the observed susceptibility allows for an excellent fit, and the extraction of microscopic exchange parameters.Comment: 8 pages including 7 figures, submitted to Phys. Rev. B; series extended to 29th. QMC adde