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H. Q. Lin

Publications and source records attributed to H. Q. Lin.

At least 37 records · Page 2Linked to original sources

Orbitally relieved magnetic frustration in NaVO2

The magnetic properties of NaVO2 are investigated using full-potential linearized augmented plane wave method. We perform calculations for three structures. For the rhombohedral structure at 100 K, the t2g orbitals of V ions are split into upper a1g and lower e'g orbitals by a trigonal distortion of compression. For the monoclinic structure at 91.5 K, the system behaves like a frustrated spin lattice with spatially anisotropic exchange interactions. For another monoclinic structure at 20 K, the magnetic frustration is relieved by a lattice distortion which is driven by a certain orbital ordering, and the long-range magnetic ordering is thus formed. Moreover, the small magnetic moment originates from the compensation oforbital moment for the spin moment.

cond-mat.str-el↗

Layered Structures Favor Superconductivity in Compressed Solid SiH$_{4}$

The electronic and lattice dynamical properties of compressed solid SiH$_{4}$ have been calculated in the pressure range up to 300 GPa with density functional theory. We find that structures having a layered network with eight-fold SiH$_{8}$ coordination favor metallization and superconductivity. SiH$_{4}$ in these layered structures is predicted to have superconducting transition temperatures ranging from 20 to 80 K, thus presenting new possibilities for exploring high temperature superconductivity in this hydrogen-rich system.

cond-mat.supr-con↗

One-dimensional spin pyrochlore lattice: exact ground state and elementary excitations

We study the antiferromagnetic spin exchange models with $S=1/2$ and S=1 on a one-dimensional tetrahedron chain by both analytical and numerical approaches. The system is shown to be effectively mapped to a decoupled spin chain in the regime of strong rung coupling, and a spin sawtooth lattice in the regime of weak rung coupling with spin $2S$ on the top row and spin $S$ on the lower row. The ground state for the homogeneous tetrahedron chain is found to fall into in the regime of strong rung coupling. As a result, the elementary excitation for the spin-$ 1/2$ system is gapless whereas the excitation for the spin-1 system has a finite spin gap. With the aid of the exact diagonalization method, we determine the phase diagram numerically and find the existence of an additional phase in the intermediate regime. This phase is doubly degenerate and is characterized by an alternating distribution of rung singlet and rung spin $2S$. We also show that the SU(3) exchange model on the same lattice has completely different kind of ground state from that of its SU(2) correspondence and calculate its ground state and elementary excitation analytically.

cond-mat.str-el↗

Phonon Effects on Spin-Charge Separation in One Dimension

Phonon effects on spin-charge separation in one dimension are investigated through the calculation of one-electron spectral functions in terms of the recently developed cluster perturbation theory together with an optimized phonon approach. It is found that the retardation effect due to the finiteness of phonon frequency suppresses the spin-charge separation and eventually makes it invisible in the spectral function. By comparing our results with experimental data of TTF-TCNQ, it is observed that the electron-phonon interaction must be taken into account when interpreting the ARPES data.

cond-mat.str-el↗

Study of the ionic Peierls-Hubbard model using density matrix renormalization group methods

Density matrix renormalization group methods are used to investigate the quantum phase diagram of a one-dimensional half-filled ionic Hubbard model with bond-charge attraction, which can be mapped from the Su-Schrieffer-Heeger-type electron-phonon coupling at the antiadiabatic limit. A bond order wave (dimerized) phase which separates the band insulator from the Mott insulator always exists as long as electron-phonon coupling is present. This is qualitatively different from that at the adiabatic limit. Our results indicate that electron-electron interaction, ionic potential and quantum phonon fluctuations combine in the formation of the bond-order wave phase.

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Intermediate Coupling Theory of Electronic Ferroelectricity

We calculate the quantum phase diagram of an extended Falicov-Kimball model for one and two-dimensional systems in the intermediate coupling regime. Even though some features of the phase diagram are obtained analytically, the main results are calculated with a constrained path Monte Carlo technique. We find that this regime is dominated by a Bose-Einstein condensation of excitons with a built-in electric polarization. The inclusion of a finite hybridization between the bands removes the condensate but reinforces the ferroelectricity.

cond-mat.str-el↗

Variation of Superconducting Transition Temperature in Hole-Doped Copper-Oxides

The experimentally observed difference of superconducting critical temperature $T_{c}$ in hole-doped cuprates is studied by using an extended interlayer coupling model for layered d-wave superconductors. We show that the change of the maximum $T_{c}$ from series to series is determined by the next nearest neighboring hopping $t^{\prime}$, while the difference of the maximum $T_{c}$ among the compounds in a homogeneous series is controlled by the interlayer pairing strength. Our results provide helpful guidelines in the search for new high-$T_{c}$ superconductors.

cond-mat.supr-con↗

A dimerized spin fluid in a one-dimensional electron system

The ground state of a one-dimensional Hubbard model with a bond-charge attraction W term at half-filling is investigated by the density matrix renormalization group method. It is confirmed that the spin gap will be closed at U>8W. But the long-range bond order wave survives even when the spin gap is closed. It indicates that the ground state is a novel dimerized spin fluid at U>8W. By a charge-spin transformation, it is shown that there should be a dimerized metallic phase at U<-8W. Furthermore, it is found that the Hubbard interaction U enhances initially the dimerization for a weak bond charge attraction W whereas it reduces monotonously the dimerization for a stronger bond charge attraction W.

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The Net Spin Model

We study a set of exactly soluble spin models in one and two dimensions for any spin $S$. Its ground state, the excitation spectrum, quantum phase transition points, as well as dimensional crossover are determined.

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Pairing, Charge, and Spin Correlations in the Three-Band Hubbard Model

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 $V_{pd}$ between charges on neighboring Cu and O lattice sites. As a function of distance, both the $d_{x^2 - y^2}$-wave and extended s-wave pairing correlations decayed quickly. In the charge-transfer regime, increasing $V_{pd}$ decreased the long-range part of the correlation functions in both channels, while in the mixed-valent regime, it increased the long-range part of the s-wave behavior but decreased that of the d-wave behavior. Still the d-wave behavior dominated. At a given doping, increasing $V_{pd}$ increased the spin-spin correlations in the charge-transfer regime but decreased them in the mixed-valent regime. Also increasing $V_{pd}$ suppressed the charge-charge correlations between neighboring Cu and O sites. Electron and hole doping away from half-filling was accompanied by a rapid suppression of anti-ferromagnetic correlations.

cond-mat.str-el↗

Charge dynamics in doped triangular antiferromagnets

Within the framework of the fermion-spin theory based on the charge-spin separation, the charge dynamics of the doped antiferromagnet on a triangular lattice is studied. The holon part is treated by using the loop expansion to the second order. It is shown that the charge dynamics is mainly caused by charged holons moving in the background of spinon excitations. The optical conductivity spectrum shows an unusual behavior at low energies and an anomalous midinfrared band, while the resistivity exhibits a nonlinearity in temperatures.

cond-mat.str-el↗

Exact Ground States and Excited States of Net Spin Models

We study a set of exactly soluble net spin models. There exist two kinds of ground state, one is a complete dimerized state, and the other one is the ground state of corresponding spin-1 model. For the excitation gap, various phases were discovered and determined.

cond-mat↗

d-Wave Pairing Correlation in the Two-Dimensional t-J Model

The pair-pair correlation function of the two-dimensional t-J model is studied by using the power-Lanczos method and an assumption of monotonic behavior. In comparison with the results of the ideal Fermi gas, we conclude that the 2D t-J model does not have long range d-wave superconducting correlation in the interesting parameter range of $J/t \leq 0.5$. Implications of this result will also be discussed.

cond-mat.supr-con↗

Ground State of the Double Exchange Model

We invesitgate the electronic correlation effect on the ground-state properties of the double exchange model for manganites by using a semiclassical approach and the slave-boson technique. It is shown that magnetic feild has a similar effect on the canted angle between manganese spins as doping concentration does, and the canted angle exhibits weak dependence on the Coulomb interaction. We have shown that the phase separation may take place at low doping. In the slave-boson saddle-point approximation in the ferromagnetic metallic regime, the dependence of the magnetization and the Curie temperature on the doping concentration exhibits maxima near 1/3 doping. These results agree with experimental data and suggest that the electronic correlation plays an important role for understanding the ground-state properties of manganites.

cond-mat.str-el↗

Composite Polarons in Ferromagnetic Narrow-band Metallic Manganese Oxides

A new mechanism is proposed to explain the colossal magnetoresistance and related phenomena. Moving electrons accompanied by Jahn-Teller phonon and spin-wave clouds may form composite polarons in ferromagnetic narrow-band manganites. The ground-state and finite-temperature properties of such composite polarons are studied in the present paper. By using a variational method, it is shown that the energy of the system at zero temperature decreases with the formation of composite polaron; the energy spectrum and effective mass of the composite polaron at finite temperature is found to be strongly renormalized by the temperature and the magnetic field. It is suggested that the composite polaron contribute significantly to the transport and the thermodynamic properties in ferromagnetic narrow-band metallic manganese oxides.

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The Double-Time Green's Function Approach to the Two-Dimensional Heisenberg Antiferromagnet with Broken Bonds

We improved the decoupling approximation of the double-time Green's function theory, and applied it to study the spin-${1\over 2}$ two-dimensional antiferromagnetic Heisenberg model with broken bonds at finite temperature. Our decoupling approximation is applicable to the spin systems with spatial inhomogeneity, introduced by the local defects, over the whole temperature region. At low temperatures, we observed that the quantum fluctuation is reduced in the neighborhood of broken bond, which is in agreement with previous theoretical expectations. At high temperatures our results showed that the quantum fluctuation close to the broken bond is enhanced. For the two parallel broken bonds cases, we found that there exists a repulsive interaction between the two parallel broken bonds at low temperatures.

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Low energy excitations of the t-J model in 1D and 2D

We present an exact diagonalization study of the low energy singlet and triplet states for both 1D and 2D t-J model. A scan of the parameter ratio J/t shows that for nearly all low energy states in both 1D and 2D the excitation energy takes the linear form E(t,J) = a t + b J. In 1D this is the natural consequence of the factorization of the low energy wave functions, i.e. spin-charge separation. Examination of the low energy eigenstates in 2D shows that in the singlet sector the lowest states are collective modes, which for larger J correspond to `dynamical hole columns', i.e. a periodic modulation of the hole density. This modulation is well reproduced by treating holes as hard-core Bosons with an attractive interaction.

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Off-diagonal Interactions, Hund's Rules and Pair-binding in Hubbard Molecules

We have studied the effect of including nearest-neighbor, electron-electron interactions, in particular the off-diagonal (non density-density) terms, on the spectra of truncated tetrahedral and icosahedral ``Hubbard molecules,'' focusing on the relevance of these systems to the physics of doped C$_{60}$. Our perturbation theoretic and exact diagonalization results agree with previous work in that the density-density term suppresses pair-binding. However, we find that for the parameter values of interest for $C_{60}$ the off-diagonal terms {\em enhance} pair-binding, though not enough to offset the suppression due to the density-density term. We also find that the critical interaction strengths for the Hund's rules violating level crossings in C$_{60}^{-2}$, C$_{60}^{-3}$ and C$_{60}^{-4}$ are quite insensitive to the inclusion of these additional interactions.

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