The phase diagram and hidden order for generalized spin ladders

We investigate the phase diagram of antiferromagnetic spin ladders with additional exchange interactions on diagonal bonds by variational and numerical methods. These generalized spin ladders interpolate smoothly between the [Formula: see text] chain with competing nn and nnn interactions, the [Formula: see text] chain with alternating exchange and the antiferromagnetic (AF) S = 1 chain. The Majumdar - Ghosh ground states are formulated as matrix product states and are shown to exhibit the same type of hidden order as the AF S = 1 chain. Generalized matrix product states are used for a variational calculation of the ground state energy and the spin and string correlation functions. Numerical (Lanczos) calculations of the energies of the ground state and of the low-lying excited states are performed, and compare reasonably with the variational approach. Our results support the hypothesis that the dimer and Majumdar - Ghosh points are in the same phase as the AF S = 1 chain.     

二维反铁磁Heisenberg模型(s=1/2)的低能性质研究

利用一种有效的Monte Carlo簇团迭代方法进行了关于二维反铁磁Heisenberg量子模型的数值研究。比较手征微扰理论的有关解析结果,在有限温度和有限体积下精确地确定了该系统的重要低能参数:基态能量密度e_o=-0.6693(1)J/a²,参差磁化强度M_s=0.3076(4)/a²,自旋波速度?c=1.68(1)Ja和自旋块度(spin stiffness)ρ_s=0.185(5)J。计算结果与 关键词：     

Supersolid phase in spin dimer XXZ systems under a magnetic field

Using the quantum Monte Carlo method, we study, under external magnetic fields, the ground state phase diagram of the two-dimensional spin S=1/2 dimer model with an anisotropic intraplane antiferromagnetic coupling. With the anisotropy 4 greater/approximately Delta greater/approximately 3, a supersolid phase characterized by a nonuniform Bose condensate density that breaks translational symmetry is found. The rich phase diagram also contains a checkerboard solid, an antiferromagnet in the z axis, and a superfluid phase formed by S(z)= +1 spin triplets which has a finite staggered magnetization in the in-plane direction. As we show, the model can be realized as a consequence of including the next nearest neighbor coupling among dimers and our results suggest that spin dimer systems may be an ideal model system to study the supersolid phase.     

Simultaneous dimerization and SU(4) symmetry breaking of 4-color fermions on the square lattice

Using infinite projected entangled-pair states, exact diagonalization, and flavor-wave theory, we show that the SU(4) Heisenberg model undergoes a spontaneous dimerization on the square lattice, in contrast with its SU(2) and SU(3) counterparts, which develop Néel and three-sublattice stripelike long-range order. Since the ground state of a dimer is not a singlet for SU(4) but a 6-dimensional irreducible representation, this leaves the door open for further symmetry breaking. We provide evidence that, unlike in SU(4) ladders, where dimers pair up to form singlet plaquettes, here the SU(4) symmetry is additionally broken, leading to a gapless spectrum in spite of the broken translational symmetry.     

Valence bond ground states in a frustrated two-dimensional spin-1/2 Heisenberg antiferromagnet

We study a class of two-dimensional spin-1/2 Heisenberg antiferromagnets, introduced by Klein [1], in which the nearest-neighbor term is supplemented by next-nearest-neighbor pair and four-body interactions, producing additional frustration. For certain lattices, including e.g. the hexagonal lattice, we prove that any finite subset which admits a dimer covering has a ground state space spanned by valence bond states, each of which consists only of nearest-neighbor (dimer) singlet pairs. We also establish linear independence of these valence bond states. The possible relevance to resonating-valence-bond theories of high-temperature superconductors is briefly discussed. In particular, our results apply both to regular subsets of the lattice and to subsets with static holes.Work supported in part by N.S.F. Postdoctoral Research FellowshipsWork supported by N.S.F. Grant No. DMR-83-18051     

Chiral spin liquid wave function and the Lieb-Schultz-Mattis theorem

We study a chiral spin liquid wave function defined as a Gutzwiller projected BCS state with a complex pairing function. After projection, spontaneous dimerization is found for any odd but finite number of chains, thus satisfying the Lieb-Schultz-Mattis theorem, whereas for an even number of chains there is no dimerization. The two-dimensional thermodynamic limit is consistently reached for a large number of chains since the dimer order parameter vanishes in this limit. This property clearly supports the possibility of a spin liquid ground state in two dimensions with a gap to all physical excitations and with no broken translation symmetry.     

Phases of the infinite U Hubbard model on square lattices

We apply the density matrix renormalization group to study the phase diagram of the infinite U Hubbard model on 2- to 6-leg ladders. Where the results are largely insensitive to the ladder width, we consider the results representative of the 2D square lattice. We find a fully polarized ferromagnetic Fermi liquid phase when n, the density of electrons per site, is in the range 1>n?0.800. For n=3/4 we find an unexpected insulating checkerboard phase with coexisting bond-density order with 4 sites per unit cell and block-spin antiferromagnetic order with 8 sites per unit cell. For 3/4>n, all ladders with width >2 have unpolarized ground states.     

Resonating valence bond wave functions for strongly frustrated spin systems

The resonating-valence-bond (RVB) theory for two-dimensional quantum antiferromagnets is shown to be the correct paradigm for large enough "quantum frustration." This scenario, proposed a long time ago but never confirmed by microscopic calculations, is strongly supported by a new type of variational wave function, which is extremely close to the exact ground state of the J(1)-J(2) Heisenberg model for 0.4 less than approximately J(2)/J(1) less than approximately 0.5. This wave function is proposed to represent the generic spin-half RVB ground state in spin liquids.     

An equilibrium focused approach to calculating the Raman spectrum of the symmetric OH stretch in formic acid dimer

The recent reaction surface Hamiltonian model for the double proton tunneling in formic acid dimer of Barnes et al. [G.L. Barnes, S.M. Squires, E.L. Sibert, J. Phys. Chem. B. 112 (2008) 595.] has been applied to the calculation of the symmetric OH stretching Raman spectra. We interpret the full Raman spectra obtained through use of a simplified, single minimum spectrum. Extensive state mixing is found, leading to broad spectral features. Results compare well with the experimental measurements of Bertie et al. [J.E. Bertie, K.H. Michaelian, H.H. Eysel, D. Hager, J. Chem. Phys. 85 (9) (1986) 4779]. We also report improvements upon our previous approach and present ground state and fundamental frequencies as well as tunneling splittings obtained with our new method.     

Quantum criticality and percolation in dimer-diluted two-dimensional antiferromagnets

The S = 1/2 Heisenberg model is considered on bilayer and single-layer square lattices with couplings J1, J2, with each spin belonging to one J2-coupled dimer. A transition from a Néel to disordered ground state occurs at a critical value of g = J2/J1. The systems are here studied at their dimer-dilution percolation points p*. The multicritical point (g*,p*) previously found for the bilayer is not reproduced for the single layer. Instead, there is a line of critical points (g < g*, p*) with continuously varying exponents. The uniform magnetic susceptibility diverges as T(-alpha) with alpha element of [1/2,1]. This unusual behavior is attributed to an effective free-moment density approximately T(1-alpha). The susceptibility of the bilayer is not divergent but exhibits remarkably robust quantum-critical scaling.     

Ising phases of Heisenberg ladders in a magnetic field

We show that Dzyaloshinskii-Moriya (DM) interactions can substantially modify the phase diagram of spin-1/2 Heisenberg ladders in a magnetic field provided they compete with exchange. For nonfrustrated ladders, they induce a local magnetization along the DM vector that turns the gapless intermediate phase into an Ising phase with broken translational symmetry, while for frustrated ladders, they extend the Ising order of the half-integer plateau to the surrounding gapless phases of the purely Heisenberg case. Implications for experimental ladder and dimer systems are discussed.     

Multireference configuration interaction potential curve and analytical potential energy function of the ground and low-lying excited states of CdSe

The potential energy curves (PECs) of the ground state ($^{3}\Pi )$ and three low-lying excited states ($^{1}\Sigma $, $^{3}\Sigma $,$^{ 1}\Pi )$ of CdSe dimer have been studied by employing quasirelativistic effective core potentials on the basis of the complete active space self-consistent field method followed by multireference configuration interaction calculation. The four PECs are fitted to analytical potential energy functions using the Murrel--Sorbie potential function. Based on the PECs, the vibrational levels of the four states are determined by solving the Schr\"{o}dinger equation of nuclear motion, and corresponding spectroscopic constants are accurately calculated. The equilibrium positions as well as the spectroscopic constants and the vibrational levels are reported. By our analysis, the $^{3}\Pi $ state, of which the dissociation asymptote is Cd($^{1}$S) + Se($^{3}$P), is identified as a ground state of CdSe dimer, and the corresponding dissociation energy is estimated to be 0.39\,eV. However, the first excited state is only 1132.49\,cm$^{ - 1}$ above the ground state and the $^{3}\Sigma $ state is the highest in the four calculated states.     

Sr原子自电离态的电场效应

用多步激发的方法,将Sr原子从基态5s~2经价态4α~(-2)激发至(4d_(3/2)np,n_f)J=1和(4d_(5/2)np,nf)J=1自电离系列,观察其在外电场0～5kV/cm内的光谱.对所观察到的n=12,13,14附近的斯塔克谱图进行了分析与讨论.     

Quantum J1-J2 antiferromagnet on a stacked square lattice: influence of the interlayer coupling on the ground-state magnetic ordering

Using the coupled-cluster method and the rotation-invariant Green's function method, we study the influence of the interlayer coupling Jperpendicular on the magnetic ordering in the ground state of the spin-1/2 J1-J2 frustrated Heisenberg antiferromagnet (J1-J2 model) on the stacked square lattice. In agreement with known results for the J1-J2 model on the strictly two-dimensional square lattice (Jperpendicular=0), we find that the phases with magnetic long-range order at small J2Jc2 are separated by a magnetically disordered (quantum paramagnetic) ground-state phase. Increasing the interlayer coupling Jperpendicular >0, the parameter region of this phase decreases, and, finally, the quantum paramagnetic phase disappears for quite small Jperpendicular approximately (0.2-0.3)J1.     

Supersolids versus phase separation in two-dimensional lattice bosons

We study the nature of the ground state of the two-dimensional extended boson Hubbard model on a square lattice by quantum Monte Carlo methods. We demonstrate that strong but finite on-site interaction U along with a comparable nearest-neighbor repulsion V result in a thermodynamically stable supersolid ground state for densities larger than 1/2, in contrast to fillings less than 1/2 or for very large U, where the checkerboard supersolid is unstable towards phase separation. We discuss the relevance of our results to realizations of supersolids using cold bosonic atoms in optical lattices.     

Ultrafast dissociation processes in the NO dimer studied with time-resolved photoelectron imaging

Ultraviolet photodissociation of the NO dimer is studied with femtosecond time-resolved photoelectron imaging (TR-PEI) spectroscopy. Pump pulses in the range 200–235 nm are employed, while probe pulses are kept at 300 nm. The time dependencies of the observed photoelectron kinetic energies and photoelectron angular distributions support a picture in which valence state optically excited in the dimer evolves on a time scale of <1 ps to the dimer 3s Rydberg state. This dimer Rydberg state then undergoes fragmentation on a time scale of a few ps. In this study we focus on dissociation into an NO ground state fragment and an NO fragment in its 3s Rydberg A²Σ⁺ state. Every stage of this continuous process, viz. the dimer valence state, the dimer 3s Rydberg state, the separating NO(X) + NO(A) fragments, and the isolated NO(A) fragment is interrogated with TR-PEI.     

Generation of entanglement in finite spin systems via adiabatic quantum computation

For a finite XY chain and a finite two-dimensional Ising lattice, it is shown that the paramagnetic ground state is adiabatically transformed to the Greenberger-Horne-Zeilinger state in the ferromagnetic phase by changing slowly the external magnetic field. It is found that the fidelity between the Greenberger-Horne-Zeilinger state and an adiabatically evolved state depends on the interpolation schemes as well as the energy gap between the ground and exited states. A possibility whether quantum phase transitions can be simulated on adiabatic quantum computation is discussed.     

The Finite Temperature s-Wave Superconductivity in the Two-Component Anyon Gas

onent anyon gas, and show that in the content of the BCS theory the long range gauge force can not be renormalized at the finite temperature T # 0, and this singularity is inherent and can not be overcome by adding other interactions of any form. We attribute this to the fake vortex excitations, and show that an elementary excitation over the supercondu&ive s-wave ground state in the two-component anyon gas is always in company with the excitation of a fake vortex. The finite temperature superconductivity in the two-component anyon gas is similar with the two-dimensional superfluid. There are two KT phase transitions.ponent anyon gas is similar with the two-dimensional superfluid. There are two KT phase transitions.     

Ground state degeneracy and ferromagnetism in a spin glass

We prove three results for the two-dimensional Ising spin glass model on a square lattice: (a) finite entropy for the ground state; (b) ferromagnetism for low concentrations of antiferromagnetic bonds and low temperatures; (c) vanishing magnetization for a spin glass with equal concentrations of ferro- and antiferromagnetic bonds.