Symmetries and Triplet Dispersion in a Modified Shastry-Sutherland Model for SrCu_2(BO_3)_2

We investigate the one-triplet dispersion in a modified Shastry-Sutherland Model for SrCu_2(BO_3)_2 by means of a series expansion about the limit of strong dimerization. Our perturbative method is based on a continuous unitary transformation that maps the original Hamiltonian to an effective, energy quanta conserving block diagonal Hamiltonian H_{eff}. The dispersion splits into two branches which are nearly degenerated. We analyse the symmetries of the model and show that space group operations are necessary to explain the degeneracy of the dispersion at k=0 and at the border of the magnetic Brillouin zone. Moreover, we investigate the behaviour of the dispersion for small |k| and compare our results to INS data.Comment: 9 pages, 8 figures accepted by J. Phys.: Condens. Matte

Systematic Mapping of the Hubbard Model to the Generalized t-J Model

The generalized t-J model conserving the number of double occupancies is constructed from the Hubbard model at and in the vicinity of half-filling at strong coupling. The construction is realized by a self-similar continuous unitary transformation. The flow equation is closed by a truncation scheme based on the spatial range of processes. We analyze the conditions under which the t-J model can be set up and we find that it can only be defined for sufficiently large interaction. There, the parameters of the effective model are determined.Comment: 16 pages, 13 figures included. v2: Order of sections changed. Calculation and discussion of apparent gap in Section IV.A correcte

Magnetic Structure of the Jahn-Teller System LaTiO\u3csub\u3e3\u3c/sub\u3e

We investigate the effect of the experimentally observed Jahn-Teller distortion of the oxygen octahedra in LaTiO3 on the magnetic exchange. We present a localized model for the effective hopping between nearest-neighbor Ti ions and the intrasite Coulomb interactions, based on a nondegenerate orbital ground state due to the static crystal field. The latter corresponds to an orbital order which has recently been confirmed experimentally. Using perturbation theory we calculate, in addition to the Heisenberg coupling, antisymmetric (Dzyaloshinskii-Moriya) and symmetric anisotropy terms of the superexchange spin Hamiltonian, which are caused by the spin-orbit interaction. Employing this spin Hamiltonian, we deduce that at low temperatures the spins have predominantly a G-type antiferromagnetic ordering along the crystallographic a axis, accompanied by a weak ferromagnetic moment along the c axis and by a weak A-type antiferromagnetic moment along the b axis. The first two components are found to be in good agreement with experiment

Spin-Wave Spectrum of the Jahn-Teller System LaTiO\u3csub\u3e3\u3c/sub\u3e

We present an analytical calculation of the spin-wave spectrum of the Jahn-Teller system LaTiO3. The calculation includes all superexchange couplings between nearest-neighbor Ti ions allowed by the space-group symmetries: The isotropic Heisenberg couplings and the antisymmetric (Dzyaloshinskii-Moriya) and symmetric anisotropies. The calculated spin-wave dispersion has four branches, two nearly degenerate branches with small zone-center gaps and two practically indistinguishable high-energy branches having large zone-center gaps. The two lower-energy modes are found to be in satisfying agreement with neutron-scattering experiments. In particular, the experimentally detected approximate isotropy in the Brillouin zone and the small zone-center gap are well reproduced by the calculations. The higher-energy branches have not been detected yet by neutron scattering but their zone-center gaps are in satisfying agreement with recent Raman data

The spin-wave spectrum of the Jahn-Teller system LaTiO3

We present an analytical calculation of the spin-wave spectrum of the Jahn-Teller system LaTiO3. The calculation includes all superexchange couplings between nearest-neighbor Ti ions allowed by the space-group symmetries: The isotropic Heisenberg couplings and the antisymmetric (Dzyaloshinskii-Moriya) and symmetric anisotropies. The calculated spin-wave dispersion has four branches, two nearly degenerate branches with small zone-center gaps and two practically indistinguishable high-energy branches having large zone-center gaps. The two lower-energy modes are found to be in satisfying agreement with neutron-scattering experiments. In particular, the experimentally detected approximate isotropy in the Brillouin zone and the small zone-center gap are well reproduced by the calculations. The higher-energy branches have not been detected yet by neutron scattering but their zone-center gaps are in satisfying agreement with recent Raman data.Comment: 13 pages, 5 figure

Hole dynamics in generalized spin backgrounds in infinite dimensions

We calculate the dynamical behaviour of a hole in various spin backgrounds in infinite dimensions, where it can be determined exactly. We consider hypercubic lattices with two different types of spin backgrounds. On one hand we study an ensemble of spin configurations with an arbitrary spin probability on each sublattice. This model corresponds to a thermal average over all spin configurations in the presence of staggered or uniform magnetic fields. On the other hand we consider a definite spin state characterized by the angle between the spins on different sublattices, i.e a classical spin system in an external magnetic field. When spin fluctuations are considered, this model describes the physics of unpaired particles in strong coupling superconductors.Comment: Accepted in Phys. Rev. B. 18 pages of text (1 fig. included) in Latex + 2 figures in uuencoded form containing the 2 postscripts (mailed separately

Covalency effects on the magnetism of EuRh2P2

In experiments, the ternary Eu pnictide EuRh2P2 shows an unusual coexistence of a non-integral Eu valence of about 2.2 and a rather high Neel temperature of 50 K. In this paper, we present a model which explains the non-integral Eu valence via covalent bonding of the Eu 4f-orbitals to P2 molecular orbitals. In contrast to intermediate valence models where the hybridization with delocalized conduction band electrons is known to suppress magnetic ordering temperatures to at most a few Kelvin, covalent hybridization to the localized P2 orbitals avoids this suppression. Using perturbation theory we calculate the valence, the high temperature susceptibility, the Eu single-ion anisotropy and the superexchange couplings of nearest and next-nearest neighbouring Eu ions. The model predicts a tetragonal anisotropy of the Curie constants. We suggest an experimental investigation of this anisotropy using single crystals. From experimental values of the valence and the two Curie constants, the three free parameters of our model can be determined.Comment: 9 pages, 5 figures, submitted to J. Phys.: Condens. Matte

Dispersion and Symmetry of Bound States in the Shastry-Sutherland Model

Bound states made from two triplet excitations on the Shastry-Sutherland (ShaSu) lattice are investigated. Based on the perturbative unitary transformation by flow equations quantitative properties like dispersions and qualitative properties like symmetries are determined. The high order results (up to (J_2/J_1)^{14}) permit to fix the parameters of SrCu_2(BO_3)_2 precisely: J_1=6.16(10)meV, x:=J_2/J_1=0.603(3), J_\perp=1.3(2)meV. At the border of the magnetic Brillouin zone (MBZ) a general double degeneracy is derived. An unexpected instability in the triplet channel at x=0.63 indicates a first order transition towards a triplet condensate, related to classical helical order.Comment: 4 pages, submitted to Phys. Rev. Let