Here we present inelastic neutron scattering measurements from the frustrated, quantum spin-1/2 chain material linarite, PbCuSO_4(OH)_2. Time of flight data, taken at 0.5K and zero applied magnetic field reveals low-energy dispersive spin wave excitations below 1.5meV both parallel and perpendicular to the Cu-chain direction. From this we confirm that the interchain couplings within linarite are around 10% of the nearest neighbour intrachain interactions. We analyse the data within both linear spin-wave theory and density matrix renormalisation group theories and establish the main magnetic exchange interactions and the simplest realistic Hamiltonian for this material.

Low-temperature neutron diffraction and NMR studies of field-induced phases in linarite are presented for magnetic fields H∥b axis. A two-step spin-flop transition is observed, as well as a transition transforming a helical magnetic ground state into an unusual magnetic phase with sine-wave-modulated moments ∥H. An effective J[over ˜]_{1}-J[over ˜]_{2} single-chain model with a magnetization-dependent frustration ratio α_{eff}=-J[over ˜]_{2}/J[over ˜]_{1} is proposed. The latter is governed by skew interchain couplings and shifted to the vicinity of the ferromagnetic critical point. It explains qualitatively the observation of a rich variety of exotic longitudinal collinear spin-density wave, SDW_{p}, states (9≥p≥2).

We determine the phase diagram of copper nitrate Cu(NO3)(2)center dot 2.5D(2)O in the context of quantum phase transitions and novel states of matter. We establish this compound as an ideal candidate to study quasi-1D Luttinger liquids, 3D Bose-Einstein-Condensation of triplons, and the crossover between 1D and 3D physics. Magnetocaloric effect, magnetization, and neutron scattering data provide clear evidence for transitions into a Luttinger liquid regime and a 3D long-range ordered phase as a function of field and temperature. Theoretical simulations of this model material allow us to fully establish the phase diagram and to discuss it in the context of dimerized spin systems.

We present a comprehensive macroscopic thermodynamic study of the quasi-one-dimensional (1D) s = 1/2 frustrated spin-chain system linarite. Susceptibility, magnetization, specific heat, magnetocaloric effect, magnetostriction, and thermal-expansion measurements were performed to characterize the magnetic phase diagram. In particular, for magnetic fields along the b axis five different magnetic regions have been detected, some of them exhibiting short-range-order effects. The experimental magnetic entropy and magnetization are compared to a theoretical modeling of these quantities using density matrix renormalization group (DMRG) and transfer matrix renormalization group (TMRG) approaches. Within the framework of a purely 1D isotropic model Hamiltonian, only a qualitative agreement between theory and the experimental data can be achieved. Instead, it is demonstrated that a significant symmetric anisotropic exchange of about 10% is necessary to account for the basic experimental observations, including the three-dimensional (3D) saturation field, and which in turn might stabilize a triatic (three-magnon) multipolar phase.

We study the ground state phase diagram of a frustrated spin-1/2 four-leg tube. Using a variety of complementary techniques, namely density matrix renormalization group, exact diagonalization, Schwinger boson mean field theory, quantum Monte-Carlo and series expansion, we explore the parameter space of this model in the regime of all-antiferromagnetic exchange. In contrast to unfrustrated four-leg tubes we uncover a rich phase diagram. Apart from the Luttinger liquid fixed point in the limit of decoupled legs, this comprises several gapped ground states, namely a plaquette, an incommensurate, and an antiferromagnetic quasi spin-2 chain phase. The transitions between these phases are analyzed in terms of total energy and static structure factor calculations and are found to be of (weak) first order. Despite the absence of long range order in the quantum case, remarkable similarities to the classical phase diagram are uncovered, with the exception of the icommensurate regime, which is strongly renormalized by quantum fluctuations. In the limit of large leg exchange the tube exhibits a deconfinement cross-over from gapped magnon like excitations to spinons.

The tetragonal compound UPt2Si2 has been characterized as a moderately mass-enhanced system with an anti-ferromagnetic (AFM) ground state below T-N = 32 K. Here, we present an extensive study of the behavior in high magnetic fields. We have performed pulsed field magnetization and static field resistivity measurements on single crystalline samples UPt2Si2. Along the crystallographic a axis, at low temperatures, we find a metamagnetic-like transition in fields of the order 40 T, possibly indicating a first-order transition. Along the crystallographic c axis, in magnetic fields of B >= 24 T, we find distinct anomalies in both properties. From our analysis of the data we can distinguish new high-field phases above the AFM ground state. We discuss the emergence of these new phases in the context of Fermi surface effects and the possible occurrence of a Lifshitz or electronic topological transition, this in contrast to previous modelings of UPt2Si2 based on crystal electric field effects.

We present a combined neutron diffraction and bulk thermodynamic study of the natural mineral linarite PbCuSO4(OH)2, this way establishing the nature of the ground-state magnetic order. An incommensurate magnetic ordering with a propagation vector k=(0,0.186,1/2) was found below T(N)=2.8 K in a zero magnetic field. The analysis of the neutron diffraction data yields an elliptical helical structure, where one component (0.638μ(B)) is in the monoclinic ac plane forming an angle with the a axis of 27(2)°, while the other component (0.833μ(B)) points along the b axis. From a detailed thermodynamic study of bulk linarite in magnetic fields up to 12 T, applied along the chain direction, a very rich magnetic phase diagram is established, with multiple field-induced phases, and possibly short-range-order effects occurring in high fields. Our data establish linarite as a model compound of the frustrated one-dimensional spin chain, with ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor interactions. Long-range magnetic order is brought about by interchain coupling 1 order of magnitude smaller than the intrachain coupling.

The phonons and the crystal structure of the complex hydride LiBH4 are studied on single crystals using micro-Raman spectroscopy. The symmetry of the modes is determined by polarization-dependent measurements at liquid helium temperature, allowing a better comparison and a more reliable assignment to the computed phonon wavenumbers. This has led to the revision of some former assignments made from Raman measurements on polycrystalline samples. In addition, a higher integration time allowed the detection of very weak lines, so that 35 out of 36 predicted Raman lines have been identified. We have also performed explorative Raman measurements on Mg(BH4)(2) powders. In contrast to LiBH4, the very poor crystallinity of this material inhibits the exploitation of the full potential of Raman spectroscopy. Only broad lines are observed, which we compare to phonon wavenumbers calculated for various possible structures using density functional theory. Copyright (C) 2011 John Wiley & Sons, Ltd.

High field magnetization measurements have been performed on single crystalline tetragonal UPt2Si2 for the crystallographic a and c directions. These results are compared to previous experiments and calculations based on a crystal electric field scheme. Our analysis indicates that the magnetization, while reproducing previous measurements, strongly deviates from the predictions of the crystal electric field scheme model for both crystallographic directions. This finding indicates that the magnetic behavior of UPt2Si2 is more adequately described within an itinerant approach.

We provide direct evidence for successive exchange of D atoms in the isotopically pure BH4- units of the crystalline solid lithium borohydride. We prove the coexistence of all BH4-nDn- (0 <= n <= 4) units in the bulk by deconvolution of the D-stretching vibrations band of Raman spectra at 83 and 5 K in partially D-exchanged LiBH4 and comparison with first-principles Raman intensity calculations. The measured distribution of BH4-nDn- units is in good agreement with a binomial distribution biased by H-D zero-point motions. This implies breaking the strong D-2 covalent bond and transport of hydrogen in LiBH4 below the melting temperature.