Spin-liquid phase in a spin-1/2 quantum magnet on the kagome lattice

We study a model of hard-core bosons with short-range repulsive interactions at half filling on the kagome lattice. Using quantum Monte Carlo numerics, we find that this model shows a continuous superfluid-insulator quantum phase transition, with exponents z=1 and nu approximately 0.67(5). The insulator, I*, exhibits short-ranged density and bond correlations, topological order, and exponentially decaying spatial vison correlations, all of which point to a Z2 fractionalized phase. We estimate the vison gap in I* from the temperature dependence of the energy. Our results, together with the equivalence between hard-core bosons and S=1/2 spins, provide compelling evidence for a spin-liquid phase in an easy-axis spin-1/2 model with no special conservation laws.     

Interaction and spin–orbit effects on a kagome lattice at 1/3 filling

We investigate the competing effects of spin-orbit coupling and electron--electron interaction on a kagome lattice at 1/3 filling. We apply the cellular dynamical mean-field theory and its real-space extension combined with the continuous time quantum Monte Carlo method, and obtain a phase diagram including the effects of the interaction and the spin-orbit coupling at T = 0. 1t, where T is the temperature and t is the hopping energy. We find that without the spin-orbit coupling, the system is in a semi-metal phase stable against the electron--electron interaction. The presence of the spin-orbit coupling can induce a topological non-trivial gap and drive the system to a topological insulator, and as the interaction increases, a larger spin--orbit coupling is required to reach the topological insulating phase.     

Magnetic ground state of an experimental S=1/2 kagome antiferromagnet

We present a detailed analysis of the heat capacity of a near-perfect S=1/2 kagome antiferromagnet, zinc paratacamite Zn(x)Cu(4-x)(OH)(6)Cl(2), as a function of stoichiometry x-->1 and for fields of up to 9 T. We obtain the heat capacity intrinsic to the kagome layers by accounting for the weak Cu2+/Zn2+ exchange between the Cu and the Zn sites, which was measured independently for x=1 using neutron diffraction. The evolution of the heat capacity for x=0.8...1 is then related to the hysteresis in the magnetic susceptibility. We conclude that for x>0.8 zinc paratacamite is a spin liquid without a spin gap, in which unpaired spins give rise to a macroscopically degenerate ground state manifold with increasingly glassy dynamics as x is lowered.     

Spin excitations in an anisotropic bond-alternating quantum s = 1 chain in a magnetic field: contrast to haldane spin chains

Inelastic neutron scattering experiments on the S = 1 quasi-one-dimensional bond-alternating antiferromagnet Ni(C9D24N4)(NO2)ClO4 have been performed under magnetic fields below and above a critical field Hc at which the energy gap closes. Normal field dependence of Zeeman splitting of the excited triplet modes below Hc has been observed, but the highest mode is unusually small and smears out with increasing field. This can be explained by an interaction with a low-lying two magnon continuum at q(parallel) = pi that is present in dimerized chains but absent in uniform ones. Above Hc, we find only one excited mode, in stark contrast with three massive excitations previously observed in the structurally similar Haldane-gap material NDMAP [A. Zheludev, Phys. Rev. B 68, 134438 (2003)].     

Resistance anomaly and structural disorder in NiSi2 under high pressure

Results of X-ray diffraction, electrical resistance, thermoelectric power measurements and electronic band structure calculations on NiSi₂ under high pressure are reported. The thermoelectric power (TEP) changes sign near 0.5 GPa (from +30 to −20 μV/K). As the pressure is increased, the value of TEP increases further in magnitude and near 7 GPa it becomes −50 μV/K. The pressure vs. resistance curve measured up to 30 GPa using diamond anvil (DAC)-based technique exhibits a broad hump near 12 GPa and exhibits hysteresis on pressure release. The ADXRD patterns up to 42 GPa show a gradual irreversible loss of long-range order in NiSi₂ with the diffraction lines progressively broadening under pressure. The FWHM of the diffraction lines show a rapid increase in the half-widths close to 0.5 GPa and also near 12 GPa. The computed band structure at a compression (without any disorder) corresponding to 12 GPa, exhibits an electronic topological transition (ETT). The rapid increase in disorder above 12 GPa implies that the ETT may be facilitating the structural disorder. It is suggested that the pressure drives the material through a region of entropic and energetic barriers and induces disorder in the material.     

Ferroelectricity in an s=1/2 chain cuprate

We report our discovery of ferroelectricity in the spiral-magnetic state in the quantum quasi-one-dimensional (1D) S=1/2 magnet of LiCu2O2. Electric polarization (P) emerges along the c direction below the spiral-magnetic order temperature, but changes from the c to a axis when magnetic fields (H) are applied along the b direction. We also found that P(c) increases with H(c), and P(a) appears with H(a). LiCu2O2 in zero field appears to be the first ferroelectric cuprate and also a prototypical example of the "1D spiral-magnetic ferroelectrics." However, the unexpected behavior in H may demonstrate the complexity of the ordered spin configuration, inherent in the 1D S=1/2 magnet of LiCu2O2.     

Charge and spin order on the triangular lattice: NaxCoO2 at x=0.5

The nature of electronic states due to strong correlation and geometric frustration on the triangular lattice is investigated in connection to the unconventional insulating state of NaxCoO2 at x=0.5. We study an extended Hubbard model using a spatially unrestricted Gutzwiller approximation. We find a new class of charge and spin ordered states at x=1/3 and x=0.5 where antiferromagnetic (AFM) frustration is alleviated via weak charge inhomogeneity. At x=0.5, we show that the square root of 3a x 2a off-plane Na dopant order induces weak square root of 3a x 1a charge order in the Co layer. The symmetry breaking enables successive square root of 3a x 1a AFM and 2a x 2a charge- or spin-ordering transitions at low temperatures. The Fermi surface is truncated by the 2a x 2a hexagonal zone boundary into small electron and hole pockets. We study the phase structure and compare to recent experiments.     

First-principles study of structural and elastic properties of CrO2 at high pressure

The structural and elastic properties of CrO₂ in the rutile phase under high pressures have been investigated using pseudopotential plane-wave method based on density functional theory. The optimized lattice parameters and the bulk modulus at zero pressure agree well with available experimental and theoretical data. The elastic constants C ₁₁, C ₁₂, C ₄₄, C ₃₃, C ₁₃, and C ₆₆ at zero pressure are calculated to be 359.91, 264.69, 143.28, 309.45, 218.45, and 260.74 GPa, respectively. Elastic constants, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio under pressures are obtained. Our results indicate that the rutile phase is mechanically stable below 11.99 GPa. The elastic anisotropy of rutile phase under pressures has also been predicted.     

Random Matrix Theory and L-Functions at s= 1/2

Recent results of Katz and Sarnak [8, 9] suggest that the low-lying zeros of families of L-functions display the statistics of the eigenvalues of one of the compact groups of matrices U(N), O(N) or USp(2N). We here explore the link between the value distributions of the L-functions within these families at the central point s= 1/2 and those of the characteristic polynomials Z(U,θ) of matrices U with respect to averages over SO(2N) and USp(2N) at the corresponding point θ= 0, using techniques previously developed for U(N) in [10]. For any matrix size N we find exact expressions for the moments of Z(U,0) for each ensemble, and hence calculate the asymptotic (large N) value distributions for Z(U,0) and log Z(U,0). The asymptotic results for the integer moments agree precisely with the few corresponding values known for L-functions. The value distributions suggest consequences for the non-vanishing of L-functions at the central point. Received: 1 February 2000 / Accepted: 24 March 2000     

Superfluid to Mott insulator quantum phase transition in a 2D permanent magnetic lattice

The accessibility of the critical parameters for the superfluid to Mott insulator quantum phase transition in a 2D permanent magnetic lattice is investigated. We determine the hopping matrix element J, the on-site interaction U, and hence the ratio J/U, in the harmonic oscillator wave function approximation. We show that for a range of realistic parameters the critical values of J/U, predicted by different methods for the Bose-Hubbard model in 2D, such as mean field theory and Monte Carlo simulations, are accessible in a 2D permanent magnetic lattice. The calculations are performed for a 2D permanent magnetic lattice created by two crossed arrays of parallel rectangular magnets plus a bias magnetic field.     

First-principles lattice dynamical study of ScAs and ScSb at zero and high pressure

A first-principles pseudopotential method is used to investigate the structural and elastic properties of ScAs and ScSb in their ambient B1(NaCl) and in high pressure B2 (CsCl) phases and phonon structures at zero and close to phase transition pressure. The calculated lattice constants, static bulk modulus, first order pressure derivative of the bulk modulus and the elastic constants are reported in B1 and B2 structures and compared with available experimental and other theoretical results. The phonon properties of these two compounds are compared among themselves which reveal that these compounds are predominantly metallic, due to degeneracy of optical frequencies at the zone centre. At high pressure, near the B1 to B2 transition, the LA mode at X-point softens leading to structural instability.     

Paired composite fermion phase of quantum Hall bilayers at nu=1/2+1/2

We provide numerical evidence for composite fermion pairing in quantum Hall bilayer systems at filling nu=1/2+1/2 for intermediate spacing between the layers. We identify the phase as p_(x)+ip_(y) pairing, and construct high accuracy trial wave functions to describe the ground state on the sphere. For large distances between the layers, and for finite systems, a competing "Hund's rule" state, or composite fermion liquid, prevails for certain system sizes.     

Specific heat study of an S = 1/2 alternating Heisenberg chain system: F5PNN in a magnetic field

We have measured the specific heat of an S = 1/2 antiferromagnetic alternating Heisenberg chain pentafulorophenyl nitronyl nitroxide in magnetic fields up to H > H(C2). This compound has a field-induced magnetic ordered (FIMO) phase between H(C1) and H(C2). Characteristic behaviors are observed depending on the magnetic field up to above H(C2) outside of the H-T boundary for the FIMO. The temperature and field dependence of the specific heat are qualitatively in good agreement with the theoretical calculation on an S = 1/2 two-leg ladder [Wang et al., Phys. Rev. Lett. 84, 5399 (2000)]]. This agreement suggests that the observed behaviors are related with the low-energy excitation in the Tomonaga-Luttinger liquid.