Low Energy Singlets in the Excitation Spectrum of the Spin Tetrahedra System Cu_2Te_2O_5Br_2

Low energy Raman scattering of the s=1/2 spin tetrahedra system Cu_2Te_2O_5Br_2 is dominated by an excitation at 18 cm^{-1} corresponding to an energy E_S=0.6\Delta, with \Delta the spin gap of the compound. For elevated temperatures this mode shows a soft mode-like decrease in energy pointing to an instability of the system. The isostructural reference system Cu_2Te_2O_5Cl_2 with a presumably larger inter-tetrahedra coupling does not show such a low energy mode. Instead its excitation spectrum and thermodynamic properties are compatible with long range Neel-ordering. We discuss the observed effects in the context of quantum fluctuations and competing ground states.Comment: 5 pages, 2 figures, ISSP-Kashiwa 2001, Conference on Correlated Electron

Anomalous frequency and intensity scaling of collective and local modes in a coupled spin tetrahedron system

We report on the magnetic excitation spectrum of the coupled spin tetrahedral system Cu$_{2}$Te$_{2}$O$_{5}$Cl$_{2}$ using Raman scattering on single crystals. The transition to an ordered state at T$_{N}^{Cl}$=18.2 K evidenced from thermodynamic data leads to the evolution of distinct low-energy magnetic excitations superimposed by a broad maximum. These modes are ascribed to magnons with different degree of localization and a two-magnon continuum. Two of the modes develop a substantial energy shift with decreasing temperature similar to the order parameter of other Neel ordered systems. The other two modes show only a negligible temperature dependence and dissolve above the ordering temperature in a continuum of excitations at finite energies. These observations point to a delicate interplay of magnetic inter- and intra-tetrahedra degrees of freedom and an importance of singlet fluctuations in describing a spin dynamics.Comment: 7pages, 6figures, 1tabl

Positive contraction mappings for classical and quantum Schrodinger systems

The classical Schrodinger bridge seeks the most likely probability law for a diffusion process, in path space, that matches marginals at two end points in time; the likelihood is quantified by the relative entropy between the sought law and a prior, and the law dictates a controlled path that abides by the specified marginals. Schrodinger proved that the optimal steering of the density between the two end points is effected by a multiplicative functional transformation of the prior; this transformation represents an automorphism on the space of probability measures and has since been studied by Fortet, Beurling and others. A similar question can be raised for processes evolving in a discrete time and space as well as for processes defined over non-commutative probability spaces. The present paper builds on earlier work by Pavon and Ticozzi and begins with the problem of steering a Markov chain between given marginals. Our approach is based on the Hilbert metric and leads to an alternative proof which, however, is constructive. More specifically, we show that the solution to the Schrodinger bridge is provided by the fixed point of a contractive map. We approach in a similar manner the steering of a quantum system across a quantum channel. We are able to establish existence of quantum transitions that are multiplicative functional transformations of a given Kraus map, but only for the case of uniform marginals. As in the Markov chain case, and for uniform density matrices, the solution of the quantum bridge can be constructed from the fixed point of a certain contractive map. For arbitrary marginal densities, extensive numerical simulations indicate that iteration of a similar map leads to fixed points from which we can construct a quantum bridge. For this general case, however, a proof of convergence remains elusive.Comment: 27 page

Momentum distribution of confined bosons: temperature dependence

The momentum distribution function of a parabolically confined gas of bosons with harmonic interparticle interactions is derived. In the Bose-Einstein condensation region, this momentum distribution substantially deviates from a Maxwell-Boltzmann distribution. It is argued that the determination of the temperature of the boson gas from the Bose-Einstein momentum distribution function is more appropriate than the currently used fitting to the high momentum tail of the Maxwell-Boltzmann distribution.Comment: 5 REVTEX pages + 2 postscript figures. Accepted in Phys. Rev.

Thermodynamics of Coupled Identical Oscillators within the Path Integral Formalism

A generalization of symmetrized density matrices in combination with the technique of generating functions allows to calculate the partition function of identical particles in a parabolic confining well. Harmonic two-body interactions (repulsive or attractive) are taken into account. Also the influence of a homogeneous magnetic field, introducing anisotropy in the model, is examined. Although the theory is developed for fermions and bosons, special attention is payed to the thermodynamic properties of bosons and their condensation.Comment: 13 REVTEX pages + 9 postscript figure

Longitudinal magnon in the tetrahedral spin system Cu2Te2O5Br2 near quantum criticality

We present a comprehensive study of the coupled tetrahedra-compound Cu2Te2O5Br2 by theory and experiments in external magnetic fields. We report the observation of a longitudinal magnon in Raman scattering in the ordered state close to quantum criticality. We show that the excited tetrahedral-singlet sets the energy scale for the magnetic ordering temperature T_N. This energy is determined experimentally. The ordering temperature T_N has an inverse-log dependence on the coupling parameters near quantum criticality

Comparative investigation of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X=Cl, Br and Cu4Te5O12Cl4

We present a comparative study of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X=Cl, Br (Cu-2252(X)) and the newly synthesized Cu4Te5O12Cl4 (Cu-45124(Cl)) based on ab initio Density Functional Theory calculations. The magnetic behavior of Cu-45124(Cl) with a phase transition to an ordered state at a lower critical temperature T$_c$=13.6K than in Cu-2252(Cl) (T$_c$=18K) can be well understood in terms of the modified interaction paths. We identify the relevant structural changes between the two systems and discuss the hypothetical behavior of the not yet synthesized Cu-45124(Br) with an ab initio relaxed structure using Car-Parrinello Molecular Dynamics.Comment: 2 pages, 1 figure; submitted to Proceedings of M2S-HTSC VIII, Dresden 200

TiOCl, an orbital-ordered system?

We present first principles density functional calculations and downfolding studies of the electronic and magnetic properties of the layered quantum spin system TiOCl. We discuss explicitely the nature of the exchange pathes and attempt to clarify the concept of orbital ordering in this material. An analysis of the electronic structure of slightly distorted structures according to the phononic modes allowed in this material suggests that this system is subject to large orbital fluctuations driven by the electron-phonon coupling. Based on these results, we propose a microscopic explanation of the behavior of TiOCl near the phase transition to a spin-gapped system.Comment: Some figures are compressed, for higher quality please contact the author

Enhanced quasiparticle dynamics of quantum well states: the giant Rashba system BiTeI and topological insulators

In the giant Rashba semiconductor BiTeI electronic surface scattering with Lorentzian linewidth is observed that shows a strong dependence on surface termination and surface potential shifts. A comparison with the topological insulator Bi2Se3 evidences that surface confined quantum well states are the origin of these processes. We notice an enhanced quasiparticle dynamics of these states with scattering rates that are comparable to polaronic systems in the collision dominated regime. The Eg symmetry of the Lorentzian scattering contribution is different from the chiral (RL) symmetry of the corresponding signal in the topological insulator although both systems have spin-split surface states.Comment: 6 pages, 5 figure