Phase transitions in spin-orbital coupled model for pyroxene titanium oxides

We study the competing phases and the phase transition phenomena in an effective spin-orbital coupled model derived for pyroxene titanium oxides ATiSi2O6 (A=Na, Li). Using the mean-field-type analysis and the numerical quantum transfer matrix method, we show that the model exhibits two different ordered states, the spin-dimer and orbital-ferro state and the spin-ferro and orbital-antiferro state. The transition between two phases is driven by the relative strength of the Hund's-rule coupling to the onsite Coulomb repulsion and/or by the external magnetic field. The ground-state phase diagram is determined. There is a keen competition between orbital and spin degrees of freedom in the multicritical regime, which causes large fluctuations and significantly affects finite-temperature properties in the paramagnetic phase.Comment: 4 pages, 6 figures, proceedings submitted to SPQS200

Thermodynamics of the anisotropic Heisenberg chain calculated by the density matrix renormalization group method

The density matrix renormalization group (DMRG) method is applied to the anisotropic Heisenberg chain at finite temperatures. The free energy of the system is obtained using the quantum transfer matrix which is iteratively enlarged in the imaginary time direction. The magnetic susceptibility and the specific heat are calculated down to T=0.01J and compared with the Bethe ansatz results. The agreement including the logarithmic correction in the magnetic susceptibility at the isotropic point is fairly good.Comment: 4 pages, 3 Postscript figures, REVTeX, to appear in J. Phys. Soc. Jpn. Vol.66 No.8 (1997

Electronic structure and electric-field gradients analysis in CeIn3CeIn_3

Electric field gradients (EFG's) were calculated for the $CeIn_3$ compound at both $^{115}In$ and $^{140}Ce$ sites. The calculations were performed within the density functional theory (DFT) using the augmented plane waves plus local orbital (APW+lo) method employing the so-called LDA+U scheme. The $CeIn_3$ compound were treated as nonmagnetic, ferromagnetic, and antiferromagnetic cases. Our result shows that the calculated EFG's are dominated at the $^{140}Ce$ site by the Ce-4f states. An approximately linear relation is intuited between the main component of the EFG's and total density of states (DOS) at Fermi level. The EFG's from our LDA+U calculations are in better agreement with experiment than previous EFG results, where appropriate correlations had not been taken into account among 4f-electrons. Our result indicates that correlations among 4f-electrons play an important role in this compound and must be taken into account

Exact dimer ground state of the two dimensional Heisenberg spin system SrCu_2(BO_3)_2

The two dimensional Heisenberg model for SrCu_2(BO_3)_2 has the exact dimer ground state which was proven by Shastry and Sutherland almost twenty years ago. The critical value of the quantum phase transition from the dimer state to the N\'{e}el ordered state is determined. Analysis of the experimental data shows that SrCu_2(BO_3)_2 has the dimer ground state but is close to the transition point, which leads to the unusual temperature dependence of the susceptibility. Almost localized nature of the triplet excitations explains the plateaus observed in the magnetization curve.Comment: 4 pages, 5 figures, to appear in PR

In-gap state and effect of light illumination in CuIr2_2S4_4 probed by photoemission spectroscopy

We have studied disorder-induced in-gap states and effect of light illumination in the insulating phase of spinel-type CuIr$_2$S$_4$ using ultra-violet photoemission spectroscopy (UPS). The Ir$^{3+}$/Ir$^{4+}$ charge-ordered gap appears below the metal-insulator transition temperature. However, in the insulating phase, in-gap spectral features with $softgap$ are observed in UPS just below the Fermi level ($E_F$), corresponding to the variable range hopping transport observed in resistivity. The spectral weight at $E_F$ is not increased by light illumination, indicating that the Ir$^{4+}$-Ir$^{4+}$ dimer is very robust although the long-range octamer order would be destructed by the photo-excitation. Present results suggest that the Ir$^{4+}$-Ir$^{4+}$ bipolaronic hopping and disorder effects are responsible for the conductivity of CuIr$_2$S$_4$.Comment: 14 pages, 5 figure

Coexistence of antiferromagnetic order and unconventional superconductivity in heavy fermion compounds CeRh_{1-x}Ir_xIn_5: nuclear quadrupole resonance studies

We present a systematic ^{115}In NQR study on the heavy fermion compounds CeRh_{1-x}Ir_xIn_5 (x=0.25, 0.35, 0.45, 0.5, 0.55 and 0.75). The results provide strong evidence for the microscopic coexistence of antiferromagnetic (AF) order and superconductivity (SC) in the range of 0.35 \leq x \leq 0.55. Specifically, for x=0.5, T_N is observed at 3 K with a subsequent onset of superconductivity at T_c=0.9 K. T_c reaches a maximum (0.94 K) at x=0.45 where T_N is found to be the highest (4.0 K). Detailed analysis of the measured spectra indicate that the same electrons participate in both SC and AF order. The nuclear spin-lattice relaxation rate 1/T_1 shows a broad peak at T_N and follows a T^3 variation below T_c, the latter property indicating unconventional SC as in CeIrIn_5 (T_c=0.4 K). We further find that, in the coexistence region, the T^3 dependence of 1/T_1 is replaced by a T-linear variation below T\sim 0.4 K, with the value \frac{(T_1)_{T_c}}{(T_1)_{low-T}} increasing with decreasing x, likely due to low-lying magnetic excitations associated with the coexisting magnetism.Comment: 20 pages, 14 figure

Efficiency of symmetric targeting for finite-T DMRG

Two targeting schemes have been known for the density matrix renormalization group (DMRG) applied to non-Hermitian problems; one uses an asymmetric density matrix and the other uses symmetric density matrix. We compare the numerical efficiency of these two targeting schemes when they are used for the finite temperature DMRG.Comment: 4 pages, 3 Postscript figures, REVTe

Combination of Ferromagnetic and Antiferromagnetic Features in Heisenberg Ferrimagnets

We investigate the thermodynamic properties of Heisenberg ferrimagnetic mixed-spin chains both numerically and analytically with particular emphasis on the combination of ferromagnetic and antiferromagnetic features. Employing a new density-matrix renormalization-group technique as well as a quantum Monte Carlo method, we reveal the overall thermal behavior: At very low temperatures, the specific heat and the magnetic susceptibility times temperature behave like $T^{1/2}$ and $T^{-1}$, respectively, whereas at intermediate temperatures, they exhibit a Schottky-like peak and a minimum, respectively. Developing the modified spin-wave theory, we complement the numerical findings and give a precise estimate of the low-temperature behavior.Comment: 9 pages, 9 postscript figures, RevTe

Thermodynamics of doped Kondo insulator in one dimension: Finite Temperature DMRG Study

The finite-temperature density-matrix renormalization-group method is applied to the one-dimensional Kondo lattice model near half filling to study its thermodynamics. The spin and charge susceptibilities and entropy are calculated down to T=0.03t. We find two crossover temperatures near half filling. The higher crossover temperature continuously connects to the spin gap at half filling, and the susceptibilities are suppressed around this temperature. At low temperatures, the susceptibilities increase again with decreasing temperature when doping is finite. We confirm that they finally approach to the values obtained in the Tomonaga-Luttinger (TL) liquid ground state for several parameters. The crossover temperature to the TL liquid is a new energy scale determined by gapless excitations of the TL liquid. The transition from the metallic phase to the insulating phase is accompanied by the vanishing of the lower crossover temperature.Comment: 4 pages, 7 Postscript figures, REVTe

Finite-temperature phase transitions in quasi-one-dimensional molecular conductors

Phase transitions in 1/4-filled quasi-one-dimensional molecular conductors are studied theoretically on the basis of extended Hubbard chains including electron-lattice interactions coupled by interchain Coulomb repulsion. We apply the numerical quantum transfer-matrix method to an effective one-dimensional model, treating the interchain term within mean-field approximation. Finite-temperature properties are investigated for the charge ordering, the "dimer Mott" transition (bond dimerization), and the spin-Peierls transition (bond tetramerization). A coexistent state of charge order and bond dimerization exhibiting dielectricity is predicted in a certain parameter range, even when intrinsic dimerization is absent.Comment: to be published in J. Phys. Soc. Jpn., Vol. 76 (2007) No. 1 (5 pages, 4 figures); typo correcte