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P. Thalmeier

Publications and source records attributed to P. Thalmeier.

At least 37 records · Page 2Linked to original sources

On the effect of weak disorder on the density of states in graphene

The effect of weak potential and bond disorder on the density of states of graphene is studied. By comparing the self-consistent non-crossing approximation on the honeycomb lattice with perturbation theory on the Dirac fermions, we conclude, that the linear density of states of pure graphene changes to a non-universal power-law, whose exponent depends on the strength of disorder like 1-4g/sqrt{3}t^2π, with g the variance of the Gaussian disorder, t the hopping integral. This can result in a significant suppression of the exponent of the density of states in the weak-disorder limit. We argue, that even a non-linear density of states can result in a conductivity being proportional to the number of charge carriers, in accordance with experimental findings.

cond-mat.mes-hall↗

Magnetocaloric effect in the frustrated square lattice J1-J2 model

We investigate the magnetocaloric properties of the two-dimensional frustrated J1-J2 model on a square lattice. This model describes well the magnetic behavior of two classes of quasi-two-dimensional S = 1/2 vanadates, namely the Li2VOXO4 (X = Si, Ge) and AA'VO(PO4)2 (A, A' = Pb, Zn, Sr, Ba) compounds. The magnetocaloric effect (MCE) consists in the adiabatic temperature change upon changing the external magnetic field. In frustrated systems, the MCE can be enhanced close to the saturation field because of massive degeneracies among low lying excitations. We discuss results for the MCE in the two distinct antiferromagnetic regimes of the phase diagram. Numerical finite temperature Lanczos as well as analytical methods based on the spin wave expansion are employed and results are compared. We give explicit values for the saturation fields of the vanadium compounds. We predict that at subcritical fields there is first a (positive) maximum followed by sign change of the MCE, characteristic of all magnetically ordered phases.

cond-mat.str-el↗

Field induced quantum phase transition in the anisotropic Kondo necklace model

The anisotropic Kondo necklace model in 2D and 3D is treated as a genuine model for magnetic to Kondo singlet quantum phase transitions in the heavy fermion (HF) compounds. The variation of the quantum critical point (QCP) with anisotropy parameters has been investigated previously in the zero field case [1]. Here we extend the treatment to finite fields using a generalised bond operator representation including all triplet states. The variation of critical tc with external field H and the associated phase diagram is derived. The influence of anisotropies and the different g-factors for localised and itinerant spins on tc(H) is also investigated. It is found that three different types of behaviour may appear: (i) Destruction of antiferromangetism and appearance of a singlet state above a critical field. (ii) The inverese behaviour, namely field induced antiferromagnetism out of the Kondo singlet phase. (iii) Reentrance behaviour of the Kondo singlet phase as function of field strength.

cond-mat.str-el↗

Dynamic spin susceptibility of paramagnetic spinel LiV2O4

In an attempt to explain inelastic neutron scattering data for LiV2O4 the dynamical spin susceptibility χ(Q,w) at zero temperature is calculated. Starting point is a weak coupling approach based on the LDA bandstructure for that material. It is supplemented by a RPA treatment of local on-site interactions and contains an adjustable parameter. Due to the geometrically frustrated lattice structure the magnetic response is strongly enhanced in the vicinity of a nearly spherical surface in Q-space. We compare these results with recent low-temperature neutron scattering data. The measured spin relaxation rate Γis used to estimate the spin fluctuation contribution to the specific heat.

cond-mat.str-el↗

Theory of magnetic excitons in the heavy-fermion superconductor $UPd_{2}Al_{3}$

We analyze the influence of unconventional superconductivity on the magnetic excitations in the heavy fermion compound UPd$_2$Al$_3$. We show that it leads to the formation of a bound state at energies well below 2$Δ_0$ at the antiferromagnetic wave vector {\textbf Q}=$(0,0,π/c)$. Its signature is a resonance peak in the spectrum of magnetic excitations in good agreement with results from inelastic neutron scattering. Furthermore we investigate the influence of antiferromagnetic order on the formation of the resonance peak. We find that its intensity is enhanced due to intraband transitions induced by the reconstruction of Fermi surface sheets. We determine the dispersion of the resonance peak near {\textbf Q} and show that it is dominated by the magnetic exciton dispersion associated with local moments. We demonstrate by a microscopic calculation that UPd$_2$Al$_3$ is another example in which the unconventional nature of the superconducting order parameter can be probed by means of inelastic neutron scattering and determined unambiguously.

cond-mat.supr-con↗

Antiferromagnetic and spin gap phases of the anisotropic Kondo necklace model

We have studied the effect of anisotropies on the quantum phase transition of the Kondo necklace model in dimensions D=1, 2 and 3. Both the anisotropy $δ$ of the inter-site interaction term and anisotropy $Δ$ of the on-site Kondo interaction have been included. We use a bond operator method with constraints implemented in mean field approximation. Starting from the paramagnetic phase we determine the critical ratio $(t/J)_c$ of the quantum critical point and associated scaling exponents of the Kondo-singlet gap. We show that in the case of easy-axis type anisotropy $δ>1$ a qualitatively new behavior in comparison to the conventional Kondo necklace model with ($δ$,$Δ$)=(0,1) appears. We have also obtained the antiferromagnetic order parameter in the long range ordered phase for $t > t_c$.

cond-mat.str-el↗

Cluster approach study of intersite electron correlations in pyrochlore and checkerboard lattices

To treat effects of electron correlations in geometrically frustrated pyrochlore and checkerboard lattices, an extended single-orbital Hubbard model with nearest neighbor hopping $\sim t$ and Coulomb repulsion $\sim V$ is applied. Infinite on-site repulsion, $U\to\infty$, is assumed, thus double occupancies of sites are forbidden completely in the present study. A variational Gutzwiller type approach is extended to examine correlations due to short-range $V-$interaction and a cluster approximation is developed to evaluate a variational ground state energy of the system. Obtained analytically in a special case of quarter band filling appropriate to LiV$_2$O$_4$, the resulting simple expression describes the ground state energy in the regime of intermediate and strong coupling $V$. Like in the Brinkman-Rice theory based on the standard Gutzwiller approach to the Hubbard model, the mean value of the kinetic energy is shown to be reduced strongly as the coupling $V$ approaches a critical value $V_{c}$. This finding may contribute to explaining the observed heavy fermion behavior in LiV$_2$O$_4$.

cond-mat.str-el↗

Charge ordering in the spinels AlV$_2$O$_4$ and LiV$_2$O$_4$

We develop a microscopic theory for the charge ordering (CO) transitions in the spinels AlV$_2$O$_4$ and LiV$_2$O$_4$ (under pressure). The high degeneracy of CO states is lifted by a coupling to the rhombohedral lattice deformations which favors transition to a CO state with inequivalent V(1) and V(2) sites forming Kagomé and trigonal planes respectively. We construct an extended Hubbard type model including a deformation potential which is treated in unrestricted Hartree Fock approximation and describes correctly the observed first-order CO transition. We also discuss the influence of associated orbital order. Furthermore we suggest that due to different band fillings AlV$_2$O$_4$ should remain metallic while LiV$_2$O$_4$ under pressure should become a semiconductor when charge disproportionation sets in.

cond-mat.str-el↗

Field-angle resolved specific heat and thermal conductivity in the vortex phase of UPd_2Al_3

The field-angle dependent specific heat and thermal conductivity in the vortex phase of UPd_2Al_3 is studied using the Doppler shift approximation for the low energy quasiparticle excitations. We first give a concise presentation of the calculation procedure of magnetothermal properties with vortex and FS averages performed numerically. The comparison of calculated field-angle oscillations and the experimental results obtained previously leads to a strong reduction of the possible SC candidate states in UPd_2Al_3. The possible SC gap functions have node lines in hexagonal symmetry planes containing either the zone center or the AF zone boundary along c. Node lines in non-symmetry planes can be excluded. We also calculate the field and temperature dependence of field-angular oscillation amplitudes. We show that the observed nonmonotonic field dependence and sign reversal of the oscillation amplitude is due to small deviations from unitary scattering.

cond-mat.supr-con↗

Metal-insulator transition in the quarter- filled frustrated checkerboard lattice

We study the electronic structure and correlations in the geometrically frustrated two dimensional checkerboard lattice. In the large U limit considered here we start from an extended Hubbard model of spinless fermions at half-filling. We investigate the model within two distinct Green's function approaches: In the first approach a single-site representation decoupling scheme is used that includes the effect of nearest neighbor charge fluctuations. In the second approach a cluster representation leading to a 'multiorbital' model is investigated which includes intra-cluster correlations exactly and those between clusters on a mean field basis. It is demonstrated that with increasing nearest-neighbor Coulomb interaction V both approaches lead to a metal-insulator transition with an associated 'Mott-Hubbard' like gap caused by V. Within the single site approach we also explore the possibility of charge order. Furthermore we investigate the evolution of the quasiparticle bands as funtion of V.

cond-mat.str-el↗

Superconductivity in heavy fermion compounds

We review the current state of experimental and theoretical investigations of heavy fermion superconductors. We discuss most of the Ce-based compounds like Ce122, Ce115, Ce218 and Ce131 classes and U-based superconductors like UBe_13 and UPd_2Al_3. In the former the emphasis is on the connection to quantum critical phenomena and non-Fermi liquid behaviour. Recent neutron scattering and hydrostatic pressure results on SDW/SC competition in the Ce122 system are included. For the U-compounds we discuss the significance of dual models with both localised and itinerant 5f electrons for mass enhancement and superconducting pair formation. Itinerant spin fluctuation theories for unconventional superconductivity are also reviewed.

cond-mat.str-el↗

Superconducting Gap Function in Antiferromagnetic Heavy-Fermion UPd_2Al_3 Probed by Angle Resolved Magnetothermal Transport Measurements

The superconducting gap structure of heavy fermion UPd_2Al_3, in which unconventional superconductivity coexists with antiferromagnetic (AF) order with atomic size local moments, was investigated by the thermal conductivity measurements in a magnetic field rotating in various directions relative to the crystal axes. The results provide strong evidence that the gap function Δ(k) has a single line node orthogonal to the c-axis located at the AF Brillouin zone boundary, while Δ(k) is isotropic within the basal plane. The determined nodal structure is compatible with the resonance peak in the dynamical susceptibility observed in neutron inelastic scattering experiments. Based on these results, we conclude that the superconducting pairing function of UPd_2Al_3 is most likely to be d-wave with a form Δ(k)=Δ_0 cos(k_zc)

cond-mat.supr-con↗

Four-well tunneling states and elastic response of clathrates

We present resonant ultrasound elastic constant measurements of the clathrate compounds Eu8Ga16Ge30 and Sr8Ga16Ge30. The elastic response of the Eu clathrate provides clear evidence for the existence of a new type of four-well tunneling states, described by two nearly degenerate four level systems (FLS). The FLS's are closely linked with the fourfold split positions of Eu known from neutron diffraction density profiles. Using a realistic potential we estimate the tunneling frequencies and show that the energy gap between the two FLS's is of the same order as the Einstein oscillator frequency. This explains why the observed harmonic oscillator type specific heat is not modified by tunneling states. In addition the quadrupolar interaction of FLS's with elastic strains explains the pronounced depression observed in elastic constant measurements. In the case of the Sr clathrate, we show that the shallow dip in the elastic constant c44 is explained using the same type of quadrupolar interaction with a soft Einstein mode instead of a FLS.

cond-mat.mtrl-sci↗

Strong-coupling theory of magnetic-exciton-mediated superconductivity in UPd$_2$Al$_3$

There is compelling evidence from inelastic-neutron-scattering and tunneling experiments that the heavy-fermion superconductor UPd$_2$Al$_3$ can be understood as a dual system consisting of magnetic excitons, arising from crystal-field-split U$^{4+}$ levels, coupled to delocalised f-electrons. We have computed the superconducting transition temperature and the mass renormalisation arising from a dual model with maximal spin anisotropy using a strong-coupling approach. We find an instability to two possible opposite-spin-pairing states with even- or odd-parity gap functions. Each has a line node perpendicular to the c-direction, in agreement with NMR relaxation-rate, specific-heat and thermal-conductivity measurements. In addition, both have total spin component $S_z$=0, compatible with the observation of a pronounced Knight shift and $H_{c2}$ Pauli limiting. For parameter values appropriate to UPd$_2$Al$_3$, we determine the dependence of the superconducting transition temperature $T_c$ on a phenomenological coupling constant $g$ and we investigate the associated mass enhancement and its anisotropy.

cond-mat.str-el↗

Volume contraction at the Jahn-Teller transition of LaMnO$_3$

We have studied the volume collapse of LaMnO$_3$ at the Jahn- Teller (JT) transition temperature T$_{JT}$=750 K which has recently been found in high temperature powder x- ray and neutron diffraction experiments. We construct a model Hamiltonian involving the pseudospin of Mn$^{3+}$ e$_g$ states, the staggered JT distortion and the volume strain coordinate. We show that the anharmonic coupling between these primary and secondary order parameters leads to the first order JT phase transition associated with a comparatively large reduction of the unit cell volume of $Δ$V/V$\simeq$ 10$^{-2}$. We explain the temperature dependence of JT distortions and volume strain and discuss the volume change as function of the anharmonic coupling constant. A continuous change to a second order transition as function of model parameters is obtained. This behaviour is also observed under Ba doping.

cond-mat.str-el↗

Multiphase Superconductivity in Skutterudite PrOs_4Sb_12

We propose a model of nodal order parameters for the superconducting A and B - phase of skutterudite PrOs_4Sb_{12} and discuss the associated angular dependent magnetothermal conductivity at low temperatures. The model for the hybrid gap functions \De(k) containing an s- and g- wave parts is consistent with recent thermal conductivity experiments in PrOs_4Sb_12. In particular the model accounts for the data on polar an azimuthal field angle dependence of κ_zz(θ,ϕ). The low temperature behaviour of thermodynamic properties in zero field is also presented. We show that the effect of impurity scattering on a nodal hybrid gap function immediately leads the opening of a gap and related exponential behaviour of low temperature specific heat and thermal conductivity which is very different from d- wave superconductors.

cond-mat.supr-con↗

Impurity effects on s+g-wave superconductivity in borocarbides Y(Lu)Ni_2B_2C

Recently a hybrid s+g-wave pairing is proposed to describe the experimental observation for a nodal structure of the superconducting gap in borocarbide YNi$_2$B$_2$C and possibly LuNi$_2$B$_2$C. In this paper the impurity effects on the s+g-wave superconductivity are studied in both Born and unitarity limit. The quasiparticle density of states and thermodynamics are calculated. It is found that the nodal excitations in the clean system are immediately prohibited by impurity scattering and a finite energy gap increases quickly with the impurity scattering rate. This leads to an activated behavior in the temperature dependence of the specific heat. Qualitative agreement with the experimental results is shown. Comparison with d-wave and some anisotropic s-wave studied previously is also made.

cond-mat.supr-con↗

Competition of Orbital Antiferromagnetism With Q-Triplet-Pairing in the Ferromagnetic Superconductor UGe$_2$

Within a multicomponent BCS-like framework we study the coexistence and competition of various CDW and SC order parameters in the presence of a strong ferromagnetic background. We find that the competition of unconventional CDW, also called orbital antiferromagnet, with SC at finite momentum (${\bf Q}$-triplet pairing) shows unique characteristics like an extreme sensitivity on the deviations from nesting. We argue that pressure in UGe$_2$ creates deviations from the nesting and report a phase diagram in qualitative agreement with the observed behavior of UGe$_2$.

cond-mat.supr-con↗