arXiv subjects

P. Thalmeier

Publications and source records attributed to P. Thalmeier.

At least 55 records · Page 3Linked to original sources

arXiv2003

Magnetic susceptibility in quasi one-dimensional Ba2V3O9: chain segmentation versus the staggered field effect

A pronounced Curie-like upturn of the magnetic susceptibility chi(T) of the quasi one-dimensional spin chain compound Ba2V3O9 has been found recently. Frequently this is taken as a signature for a staggered field mechanism due to the presence of g-factor anisotropy and Dzyaloshinskii-Moriya interaction. We calculate this contribution within a realistic structure of vanadium 3d- and oxygen 2p-orbitals and conclude that this mechanism is far too small to explain experimental results. We propose that the Curie term is rather due to a segmentation of spin chains caused by broken magnetic bonds which leads to uncompensated S=1/2 spins of segments with odd numbers of spins. Using a finite-temperature Lanczos method we calculate their effective moment and show that ~1% of broken magnetic bonds is sufficient to reproduce the anomalous low-T behavior of chi(T) in Ba2V3O9.

cond-mat.str-el↗

arXiv2002

Isospin model for suppression of charge order in hole- doped NaV_2O_5

The layered perovskite compound NaV_2O_5 exhibits charge ordering (CO) and spin gap formation which is driven by inter- site Coulomb forces and exchange dimerisation. Experimentally it was found that the CO transition is rapidly reduced by doping. Charge ordering in NaV_2O_5 has a quasi 1D character due to inter- ladder frustration in the Trellis lattice. Based on an extended pseudospin (T=1) approach for hole doped NaV_2O_5 ladders we construct an Ising like model that explains qualitatively the destruction of the CO phase as function of hole doping δand show how the CO parameter depends on δand the ratio of Coulomb and hopping energies.

cond-mat.str-el↗

arXiv2002

Thermal conductivity in superconducting borocarbides LuNi2B2C and YNi2B2C

We have recently proposed the s+g wave model for superconducting borocarbides. In spite of a substantial s-wave component, this order parameter exhibits the H^1/2 dependent specific heat and a thermal conductivity linear in H in the vortex state. This is characteristic for nodal superconductors when T, Γ<< Δwhere Γis the quasiparticle scattering rate and Δthe maximum superconducting gap. Here we investigate the thermal conductivity parallel to the c- and a- axis in a magnetic field tilted by θfrom the c- axis and rotating within the a-b plane.

cond-mat.supr-con↗

arXiv2002

Multiple Superconducting Phases in New Heavy Fermion Superconductor PrOs4Sb12

The superconducting gap structure of recently discovered heavy fermion superconductor PrOs4Sb12 was investigated by using thermal transport measurements in magnetic field rotated relative to the crystal axes. We demonstrate that a novel change in the symmetry of the superconducting gap function occurs deep inside the superconducting state, giving a clear indication of the presence of two distinct superconducting phases with twofold and fourfold symmetries. We infer that the gap functions in both phases have a point node singularity, in contrast to the familiar line node singularity observed in almost all unconventional superconductors.

cond-mat.supr-con↗

arXiv2002

Thermal conductivity in B- and C- phase of UPt_3

Although the superconductivity in UPt_3 is one of the most well studied, there are still lingering questions about the nodal directions in the B and C phase in the presence of a magnetic field. Limiting ourselves to the low temperature regime (T<<Delta(0)), we study the magnetothermal conductivity with in semiclassical approximation using Volovik's approach. The angular dependence of the magnetothermal conductivity for an arbitrary field direction should clarify the nodal structure in UPt_3.

cond-mat.supr-con↗

arXiv2002

CPA for charge ordering in the extended Hubbard model

We study charge ordering in the extended Hubbard model with both on-site and nearest neighbor Coulomb repulsion (U and V, respectively) within the Coherent potential approximation (CPA). The phase boundary between the homogeneous and charge ordered phase for the square lattice is obtained for different values of U. It is shown that at quarter filling for all values of U the charge ordering exists only if the inter-site Coulomb repulsion V exceeds certain critical value which is of the order of the kinetic energy t. At finite temperature a reentrant transition is found in some region of V.

cond-mat.str-el↗

arXiv2002

Gap Function with Point Nodes in Borocarbide Superconductor YNi_2B_2C

To determine the superconducting gap function of a borocarbide superconductor YNi_2B_2C, the c-axis thermal conductivity kappa_zz was measured in a magnetic field rotated in various directions relative to the crystal axes. The angular variation of kappa_zz in H rotated within the ab-plane shows a peculiar fourfold oscillation with narrow cusps. The amplitude of this fourfold oscillation becomes very small when H is rotated conically around the c-axis with a tilt angle of 45 degrees. Based on these results, we provide the first compelling evidence that the gap function of YNi_2B_2C has POINT NODES, which are located along the [100] and [010]-directions. This unprecedented gap structure challenges the current view on the pairing mechanism and on the unusual superconducting properties of borocarbide superconductors.

cond-mat.supr-con↗

arXiv2002

Ansiotropic s- wave superconductivity in borocarbides LuNi2B2C and YNi2B2C

The symmetry of superconductivity in borocarbides LuNi2B2C and YNi2B2C is an outstanding issue. Here an anisotropic s- wave order parameter (or s+g model) is proposed for these borocarbides. In spite of the dominant s- wave component the proposed superconducting order parameter has nodes and gives rise to the H^(1/2) dependent specific heat in the vortex state (the Volovik effect). This model predicts the fourfold symmetry both in the angular dependent thermal conductivity and in the excess Dingle temperature in the vortex state, which should be readily accessible experimentally.

cond-mat.supr-con↗

arXiv2001

Gap Symmetry an Thermal Conductivity in Nodal Superconductors

There are now many nodal superconductors in heavy fermion (HF) systems, charge conjugated organic metals, high Tc cuprates and ruthenates. On the other hand only few of them have a well established gap function. We present here a study of the angular dependent thermal conductivity in the vortex state of some of the nodal superconductors. We hope it will help to identify the nodal directions in the gap function of UPd_2Al_3, UNi_2Al_3, UBe_13 and URu_2Si_2.

cond-mat.supr-con↗

arXiv2001

Dual model for magnetic excitations and superconductivity in UPd2Al3

The Heavy Fermion state in UPd2Al3 may be approximately described by a dual model where two of the three U- 5f electrons are in a localized state split by the crystalline electric field into two low lying singlets with a splitting energy of about 6 meV. The third 5f electron has itinerant character and forms the Heavy Electron bands. Inelastic neutron scattering and tunneling experiments suggest that magnetic excitons, the collective propagating crystal field excitations of the localized 5f electrons, mediate superconducting (sc) pairing in UPd2Al3. A theory for this novel mechanism is developed within a nonretarded approach. A model for the magnetic exciton bands is analyzed and compared with experiment. The sc pair potential which they mediate is derived and the gap equations are solved. It is shown that this mechanism favors an odd parity state which is nondegenerate due to the combined symmetry breaking by the crystalline electric field and the AF order parameter. A hybrid model including the spin fluctuation contribution to the pairing is also discussed.

cond-mat.str-el↗

arXiv2001

A microscopic model for the structural transition and spin gap formation in alpha'-NaV2O5

We present a microscopic model for alpha'-NaV2O5. Using an extended Hubbard model for the vanadium layers we derive an effective low-energy model consisting of pseudospin Ising chains and Heisenberg chains coupled to each other. We find a ``spin-Peierls-Ising'' phase transition which causes charge ordering on every second ladder and superexchange alternation on the other ladders. This transition can be identified with the first transition of the two closeby transitions observed in experiment. Due to charge ordering the effective coupling between the lattice and the superexchange is enhanced. This is demonstrated within a Slater-Koster approximation. It leads to a second instability with superexchange alternation on the charge-ordered ladders due to an alternating shift of the O sites on the rungs of that ladder. We can explain within our model the observed spin gap, the anomalous BCS ratio, and the anomalous shift of the critical temperature of the first transition in a magnetic field. To test the calculated superstructure we determine the low-energy magnon dispersion and find agreement with experiment.

cond-mat.str-el↗

arXiv2001

Structure determination, valence, and superexchange in the dimerized low temperature phase of alpha'-NaV2O5

We report results of a new analysis for the low-temperature structure of alpha'-NaV2O5 from synchrotron x-ray diffraction experiments. We confirm the existence of two inequivalent ladder structures in each vanadium layer. Based on our structural data we perform a bond-valence calculation for the vanadium sites in the low temperature state. Due to an asymmetric charge ordering we obtain only two different vanadium valences despite the three inequivalent sites. This explains the 51V-NMR observation of only two resonant peaks in the charge ordered phase. By use of a Slater-Koster method to obtain hopping matrix elements and cluster calculations we obtain effective vanadium-vanadium hoppings which compare well to LDA results. Using these in a cluster calculation we obtain a superexchange of 0.047 eV between electrons on neighbouring rungs of the same ladder for the undistorted phase. For the distorted phase we find a significant alternation in the shifts of the oxygen atoms along the legs of one of the two ladder types which leads to a significant exchange dimerisation δ_J \approx 0.25.

cond-mat.str-el↗

arXiv2001

Exact diagonalisation study of charge order in the quarter-filled two-leg ladder system NaV2O5

The charge ordering transition in the layer compound NaV2O5 is studied by means of exact diagonalization methods for finite systems. The 2-leg ladders of the V-Trellis lattice are associated with one spin variable of the vanadium 3d-electron in the rung and a pseudospin variable that describes its positional degree of freedom. The charge ordering (CO) due to intersite Coulomb interactions is described by an effective Ising-like Hamiltonian for the pseudo-spins that are coupled to the spin fluctuations along the ladder. We employ a Lanczos algortihm on 2D lattice to compute charge (pseudo-spin) and spin-correlation functions and the energies of the low lying excited states. A CO-phase diagram is constructed and the effect of intra-ladder exchange on the CO transition is studied. It is shown that a phase with no-longe range order (no-LRO) exists between the in-line and zig-zag ordered structures. We provide a finite-size scaling analysis for the spin excitation gap and also discuss the type of excitations. In addition we studied the effect of bond-alternation of spin exchange and derived a scaling form for the spin gap in terms of the dimerization parameter.

cond-mat.str-el↗

arXiv2000

Superexchange in the quarter- filled two- leg ladder system NaV2O5

A theory of superexchange in the mixed valent layer compound NaV2O5 is presented which provides a consistent description of exchange both in the disordered and charge ordered state. Starting from results of band structure calculations for NaV2O5 first an underlying electronic model for a ladder unit in the Trellis lattice is formulated. By using the molecular orbital representation for intra-rung electronic states a second-order perturbation procedure is developed and an effective spin-chain model for a ladder is derived. Variation of the resulting superexchange integral J is examined numerically as the ladder system evolves from a charge disordered to the extreme ('zig-zag') charge ordered state. It is found that the effective intra- ladder superexchange is always antiferromagnetic.

cond-mat.str-el↗

arXiv2000

Theoretical model for the superconducting and magnetically ordered borocarbides

We present a theory of superconductivity in presence of a general magnetic structure in a form suitable for the description of complex magnetic phases encountered in borocarbides. The theory, complemented with some details of the band structure and with the magnetic phase diagram, may explain the nearly reentrant behaviour and the anisotropy of the upper critical field of HoNi2B2C. The onset of the helical magnetic order depresses superconductivity via the reduction of the interaction between phonons and electrons caused by the formation of magnetic Bloch states. At mean field level, no additional suppression of superconductivity is introduced by the incommensurability of the helical phase.

cond-mat.supr-con↗

arXiv1999

Magnetic excitations in charge- ordered NaV2O5

An investigation of the spin excitation spectrum of charge ordered (CO) NaV2O5 is presented. We discuss several different exchange models which may be relevant for this compound, namely in- line and zig-zag chain models with weak as well as strong inter- chain coupling and also a ladder model and a CO/MV (mixed valent) model. We put special emphasis on the importance of large additional exchange across the diagonals of V- ladders and the presence of exchange anisotropies on the excitation spectrum. It is shown that the observed splitting of transverse dispersion branches may both be interpreted as anisotropy effect as well as acoustic- optic mode splitting in the weakly coupled chain models. In addition we calculate the field dependence of excitation modes in these models. Furthermore we show that for strong inter- chain coupling, as suggested by recent LDA+U results, an additional high energy optical excitation appears and the spin gap is determined by anisotropies. The most promising CO/MV model predicts a spin wave dispersion perpendicular to the chains which agrees very well with recent results obtained by inelastic neutron scattering.

cond-mat.str-el↗

arXiv1998

Superconductivity in a magnetically ordered background

Borocarbide compounds with the formula RNi2B2C show interesting superconducting and magnetic properties and the coexistence of the two phenomena. BCS theory is extended to systems with underlying commensurate magnetic order. In the case of helical phases the technique may be extended to any Q-vector and there exists a well defined limit for incommensurate values. The way magnetic order influences superconductivity depends crucially on the details of both the magnetic structure and the electron bands, but some qualitative criteria may be given. As an example we give a brief analysis of the compound HoNi2B2C.

cond-mat.supr-con↗

arXiv1998

Charge ordering and spin- Peierls transition in alpha'-NaV2O5

Recent X-ray analysis and NMR- experiments have shown that alpha'- NaV2O5 is not a conventional spin-Peierls (SP) compound because above the transition at 33K it is in a homogeneous mixed valent (MV) state and atomic spin chains do not exist. Furthermore, thermal expansion experiments have identified the existence of a double phase transition. We present a theoretical model which qualitatively explains these observations. We derive an effective Hamiltonian for the insulating state which describes the transitions as primary charge order leading to linear spin chains in b- direction and a secondary SP- transition. We show that this scenario explains in a natural way the anomalous BCS-ratio observed in alpha'- NaV2O5.

cond-mat.str-el↗