Heisenberg Spin-One Chain in Staggered Magnetic Field : A Density Matrix Renormalization Group Study

Using the density matrix renormalization group technique, we calculate numerically the low energy excitation spectrum and magnetization curve of the spin-1 antiferromagnetic chain in a staggered magnetic field, which is expected to describe the physics of $R_2 Ba Ni O_5 (R \neq Y)$ family below the N\'eel temperature of the magnetic rare-earth ($R$) sublattice. These results are valid in the entire range of the staggered field, and agree with those given by the non-linear $\sigma$ model study for small fields, but differ from the latter for large fields. They are consistent with the available experimental data. The correlation functions for this model are also calculated. The transverse correlations display the anticipated exponential decay with shorter correlation length, while the longitudinal correlations show explicitly the induced staggered magnetization.Comment: 5 pages; 5 eps figures; to appear on Phys. Rev.

Midgap States in Antiferromagnetic Heisenberg Chains with A Staggered Field

We study low-energy excitations in antiferromagnetic Heisenberg chains with a staggered field which splits the spectrum into a longitudinal and a transverse branch. Bound states are found to exist inside the field induced gap in both branches. They originate from the edge effects and are inherent to spin-chain materials. The sine-Gordon scaling $h_s^{2/3}|\log h_s|^{1/6}$ ($h_s$: the staggered field) provides an accurate description for the gap and midgap energies in the transverse branch for $S=1/2$ and the midgap energies in both branches for $S=3/2$ over a wide range of magnetic field; however, it can fit other low-energy excitations only at much lower field. Moreover, the integer-spin S=1 chain displays scaling behavior that does not fit this scaling law. These results reveal intriguing features of magnetic excitations in spin-chain materials that deserve further investigation.Comment: 4 pages, 4figure

Impurity Energy Level Within The Haldane Gap

An impurity bond $J{'}$ in a periodic 1D antiferromagnetic, spin 1 chain with exchange $J$ is considered. Using the numerical density matrix renormalization group method, we find an impurity energy level in the Haldane gap, corresponding to a bound state near the impurity bond. When $J{'}<J$ the level changes gradually from the edge of the Haldane gap to the ground state energy as the deviation $dev=(J-J{'})/J$ changes from 0 to 1. It seems that there is no threshold. Yet, there is a threshold when $J{'}>J$. The impurity level appears only when the deviation $dev=(J{'}-J)/J{'}$ is greater than $B_{c}$, which is near 0.3 in our calculation.Comment: Latex file,9 pages uuencoded compressed postscript including 4 figure

Topological effects at short antiferromagnetic Heisenberg chains

The manifestations of topological effects in finite antiferromagnetic Heisenberg chains is examined by density matrix renormalization group technique in this paper. We find that difference between integer and half-integer spin chains shows up in ground state energy per site when length of spin chain is longer than $\sim\xi$, where $\xi\sim\exp(\pi S)$ is a spin-spin correlation length, for spin magnitude S up to 5/2. For open chains with spin magnitudes $S=5/2$ to S=5, we verify that end states with fractional spin quantum numbers $S'$ exist and are visible even when the chain length is much smaller than the correlation length $\xi$. The end states manifest themselves in the structure of the low energy excitation spectrum.Comment: 4 pages, 6 figure

Bond-versus-site doping models for off-chain-doped Haldane-gap system Y2_2 Ba Ni O5_5

Using the density matrix renormalization-group technique, we calculate the impurity energy levels for two different effective models of off-chain doping for quasi-one-dimensional Heisenberg chain compound Y$_2$ Ba Ni O$_5$: ferromagnetic bond doping and antiferromagnetic site spin-1/2 doping. Thresholds of the impurity strength for the appearance of localized states are found for both models. However, the ground-state and low-energy excitations for weak impurity strength are different for these two models and the difference can be detected by experiments.Comment: 5 pages, 5 eps figures included, to be published in Phys. Rev.

Transition from band insulator to Mott insulator in one dimension: Critical behavior and phase diagram

We report a systematic study of the transition from a band insulator (BI) to a Mott insulator (MI) in a one-dimensional Hubbard model at half-filling with an on-site Coulomb interaction U and an alternating periodic site potential V. We employ both the zero-temperature density matrix renormalization group (DMRG) method to determine the gap and critical behavior of the system and the finite-temperature transfer matrix renormalization group method to evaluate the thermodynamic properties. We find two critical points at U = $U_c$ and U = $U_s$ that separate the BI and MI phases for a given V. A charge-neutral spin-singlet exciton band develops in the BI phase (U<$U_c$) and drops below the band gap when U exceeds a special point Ue. The exciton gap closes at the first critical point $U_c$ while the charge and spin gaps persist and coincide between $U_c$<U<$U_s$ where the system is dimerized. Both the charge and spin gaps collapse at U = $U_s$ when the transition to the MI phase occurs. In the MI phase (U>$U_s$) the charge gap increases almost linearly with U while the spin gap remains zero. These findings clarify earlier published results on the same model, and offer insights into several important issues regarding an appropriate scaling analysis of DMRG data and a full physical picture of the delicate nature of the phase transitions driven by electron correlation. The present work provides a comprehensive understanding for the critical behavior and phase diagram for the transition from BI to MI in one-dimensional correlated electron systems with a periodic alternating site potential.Comment: long version, 10 figure

Thermodynamics of the bilinear-biquadratic spin one Heisenberg chain

The magnetic susceptibility and specific heat of the one-dimensional S=1 bilinear-biquadratic Heisenberg model are calculated using the transfer matrix renormalization group. By comparing the results with the experimental data of ${\rm LiVGe_2O_6}$ measured by Millet et al. (Phys. Rev. Lett. {\bf 83}, 4176 (1999)), we find that the susceptibility data of this material, after subtracting the impurity contribution, can be quantitatively explained with this model. The biquadratic exchange interaction in this material is found to be ferromagnetic, i.e. with a positive coupling constant.Comment: 4 pages, 4 postscript figure

Field-induced gap in the spin-1/2 antiferromagnetic Heisenberg chain: A density matrix renormalization group study

We study the spin-1/2 antiferromagnetic Heisenberg chain in both uniform and (perpendicular) staggered magnetic fields using the density-matrix renormalization-group method. This model has been shown earlier to describe the physics of the copper benzoate materials in magnetic field. In the present work, we extend the study to more general case for a systematic investigation of the field-induced gap and related properties of the spin-1/2 antiferromagnetic Heisenberg chain. In particular, we explore the high magnetic field regime where interesting behaviors in the field-induced gap, magnetization, and spin correlation functions are found. Careful examination of the low energy properties and magnetization reveals interesting competing effects of the staggered and uniform fields. The incommensurate behavior in the spin correlation functions is demonstrated and discussed in detail. The present work reproduces earlier results in good agreement with experimental data on copper benzoate and predicts new interesting field-induced features at very high magnetic field.Comment: 8 pages, 6 figure

Logarithmic corrections from ferromagnetic impurity ending bonds of open antiferromagnetic host chains

We analyze the logarithmic corrections due to ferromagnetic impurity ending bonds of open spin 1/2 antiferromagnetic chains, using the density matrix renormalization group technique. A universal finite size scaling $\sim {\frac 1 {L \log L}}$ for impurity contributions in the quasi-degenerate ground state energy is demonstrated for a zigzag spin 1/2 chain at the critical next nearest neighbor coupling and the standard Heisenberg spin 1/2 chain, in the long chain limit. Using an exact solution for the latter case it is argued that one can extract the impurity contributions to the entropy and specific heat from the scaling analysis. It is also shown that a pure spin 3/2 open Heisenberg chain belongs to the same universality class.Comment: 4 pages, 7 eps figure