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Ralph Werner

Publications and source records attributed to Ralph Werner.

15 recordsLinked to original sources

Island formation and dynamics of gold clusters on amorphous carbon films

Samples of Au clusters deposited by laser ablation on an amorphous-carbon substrate are investigated. After a few months storage at room temperature the initially statistically distributed clusters are found to be collected in agglomerates consisting of larger clusters embedded in an Au film typically covering areas of size 25$\times$70 nm$^2$. The Au film is determined to be probably 4 to 8 monolayers but at most 7 nm thick. Evidence is found that a number of clusters consisting of less then 50 atoms are pinned at intrusions of the substrate. These results were derived using high resolution transmission electron microscopy and off-axis holography measurements to characterize the agglomerates as well as the substrate. Monte Carlo simulations were performed to model the film formation process. To this end the substrate-Au interaction was determined using density functional calculations (GGA) while the Au-Au interaction was modeled with effective many body Gupta potentials. The film formation can be understood as diffusion and fusion of clusters of intermediate ($50< N < 300$ atoms) size. Larger clusters are more stable at room temperature and remain adsorbed on the Au film.

cond-mat.mtrl-sci

Melting and evaporation transitions in small Al clusters: canonical Monte-Carlo simulations

A dimer of bound atoms cannot melt, only dissociate. Bulk metals show a well defined first order transition between their solid and liquid phases. The appearance of the melting transition is explored for increasing clusters sizes via the signatures in the specific heat and the root mean square of the bond lengths $δ_{\rm B}$ (Berry parameter) by means of Monte-Carlo simulations of Al clusters modelled by Gupta potentials. Clear signatures of a melting transition appear for $N\sim 6$ atoms. Closed-shell effects are shown for clusters with up to 56 atoms. The melting transition is compared in detail with the dissociation transition, which induces a second and possibly much larger local maximum in the specific heat at higher temperatures. Larger clusters are shown to fragment into dimers and trimers, which in turn dissociate at higher temperatures.

physics.atm-clus

Charge-density-wave instabilities driven by multiple umklapp scattering

We show that the concept of umklapp-scattering driven instabilities in one-dimensional systems can be generalized to arbitrary multiple umklapp-scattering processes at commensurate fillings given that the system has sufficiently longer range interactions. To this end we study the fundamental model system, namely interacting spinless fermions on a one-dimensional lattice, via a density matrix renormalization group approach. The instabilities are investigated via a new method allowing to calculate the ground-state charge stiffness numerically exactly. The method can be used to determine other ground state susceptibilities in general.

cond-mat.str-el

Excess current in superconducting Sr$_2$RuO$_4$

We present results from point-contact measurements on Sr$_2$RuO$_4$ that show a linear dependence of the excess current as a function of temperature and applied magnetic fields over a surprisingly wide range of the phase diagram. We propose an explanation of this finding in terms of a p-wave triplet-pairing state with coupling to a low-energy fluctuation mode. Within this model we obtain a quantitative description of the temperature dependence of the excess current. The impact of surface effects on order parameter and excess current is addressed.

cond-mat.supr-con

Orbital-singlet pairing and order parameter symmetry in Sr_2RuO_4

Based on the degeneracy of the d_{zx} and d_{yz} orbitals in Sr_2RuO_4 it is argued that the Cooper pairs condense in orbital singlets. Together with the spin-triplet wave functions the real-space wave function then is symmetric. Considering interaction effects the order parameter is found to have A_{1g} symmetry consistent with a number of experimental observations. The sensitivity of the material on non-magnetic impurities follows in a straightforward manner from the orbital-singlet configuration.

cond-mat.str-el

Low temperature electronic properties of Sr_2RuO_4 I: Microscopic model and normal state properties

Starting from the quasi one-dimensional kinetic energy of the d_{yz} and d_{zx} bands we derive a bosonized description of the correlated electron system in Sr_2RuO_4. At intermediate coupling the magnetic correlations have a quasi one-dimensional component along the diagonals of the basal plane of the tetragonal unit cell that accounts for the observed neutron scattering results. Together with two-dimensional correlations the model consistently accounts for the normal phase specific heat, cyclotron mass enhancement, static susceptibility, and Wilson ratio and implies an anomalous high temperature resistivity.

cond-mat.str-el

Low temperature electronic properties of Sr_2RuO_4 II: Superconductivity

The body centered tetragonal structure of Sr_2RuO_4 gives rise to umklapp scattering enhanced inter-plane pair correlations in the d_{yz} and d_{zx} orbitals. Based on symmetry arguments, Hund's rule coupling, and a bosonized description of the in-plane electron correlations the superconducting order parameter is found to be a orbital-singlet spin-triplet with two spatial components. The spatial anisotropy is 7%. The different components of the order parameter give rise to two-dimensional gapless fluctuations. The phase transition is of third order. The temperature dependence of the pair density, specific heat, NQR, Knight shift, and susceptibility are in agreement with experimental results.

cond-mat.str-el

Low temperature electronic properties of Sr_2RuO_4 III: Magnetic fields

Based on the microscopic model introduced previously the observed specific heat and ac-susceptibility data in the superconducting phase in Sr_2RuO_4 with applied magnetic fields are described consistently within a phenomenological approach. Discussed in detail are the temperature dependence of the upper critical fields H_{c2} and H_2, the dependence of the upper critical fields on the field direction, the linear specific heat below the superconducting phase transition as a function of field or temperature, the anisotropy of the two spatial components of the order parameter, and the fluctuation field H_p.

cond-mat.str-el

Low temperature physics of Sr$_2$RuO$_4$: multi-component superconductivity

It is shown that the properties of the superconductivity observed in Sr$_2$RuO$_4$ can be accounted for by properly taking into account the internal degrees of freedom of the system. The electrons are strongly correlated in the RuO$_2$ planes while the superconducting phase transition is driven by ``umklapp scattering'' between the planes. The in-plane magnetic correlations are determined via a non-perturbative approach. The orbital degeneracy and the magnetic moments are internal degrees of freedom of the Cooper pairs that account for the thermodynamic properties in the superconducting phase.

cond-mat.supr-con

Line shapes of dynamical correlation functions in Heisenberg chains

We calculate line shapes of correlation functions by use of complete diagonalization data of finite chains and analytical implications from conformal field theory, density of states, and Bethe ansatz. The numerical data have different finite size accuracy in case of the imaginary and real parts in the frequency and time representations of spin-correlation functions, respectively. The low temperature, conformally invariant regime crosses over at $T^*\approx 0.7J$ to a diffusive regime that in turn connects continuously to the high temperature, interacting fermion regime. The first moment sum rule is determined.

cond-mat.str-el

Thermodynamics of the low-temperature structural transition in rare-earth-doped La_{2-x}Sr_xCuO_4

The Sr concentration dependence of the structural transition from the orthorhombic into the tetragonal low-temperature phase in rare-earth-doped (R = Nd, Eu) La_{2-x-y}Sr_xR_yCuO_4 has been studied in detail. Independently of the rare earth concentration the transition temperature is strongly reduced at x ~ 0.05. We give a qualitative argument that the effect can be attributed to the Coulomb repulsion between doped carriers. We find the enthalpy jump at the low-temperature transition to scale transition temperature between the high-temperature tetragonal and the orthorhombic phase. This effect can be understood in terms of a Landau expansion.

cond-mat.str-el

Dynamical dimer-dimer correlation functions from exact diagonalization

A regularization method is presented to deduce dynamic correlation functions from exact diagonalization calculations. It is applied to dimer-dimer correlation functions in quantum spin chains relevant for the description of spin-Peierls systems. Exact results for the XY model are presented. The analysis draws into doubt that the dimer-dimer correlation functions show the same scale invariance as spin-spin correlation functions. The results are applied to describe the quasi-elastic scattering in CuGeO$_3$.

cond-mat.str-el

Magneto-elastic excitations in spin-Peierls systems

Within the random phase approximation to the spin-Peierls transition two parameter regimes of phonon softening and hardening are present. Magneto-elastic excitations are discussed in detail for phonons coupled to the exactly solvable model of XY spin chains for both regimes, leading to a modified interpretation of the 30 cm$^{-1}$ mode in CuGeO$_3$. Frustrated Heisenberg chains coupled to phonons satisfactory describe the pre-transitional quasi-elastic scattering in CuGeO$_3$. A real space interpretation of the quasi-elastic scattering is given justifying effective Ising model approaches.

cond-mat.str-el

Dynamics of the Peierls-active phonon modes in CuGeO_3

We reconsider the Cross and Fischer approach to spin-Peierls transitions. We show that a soft phonon occurs only if Omega_0<2.2 T_SP. For CuGeO_3 this condition is not fulfilled and the calculated temperature dependence of the Peierls-active phonon modes is in excellent agreement with experiment. A central peak of a width ~0.2 meV is predicted at T_SP. Good agreement is found between theory and experiment for the pretransitional Peierls-fluctuations. Finally, we consider the problem of quantum criticality in CuGeO_3.

cond-mat

Molecular-field approach to the spin-Peierls transition in CuGeO_3

We present a theory for the spin-Peierls transition in CuGeO_3. We map the elementary excitations of the dimerized chain (solitons) on an effective Ising model. Inter-chain coupling (or phonons) then introduce a linear binding potential between a pair of soliton and anti-soliton, leading to a finite transition temperature. We evaluate, as a function of temperature, the order parameter, the singlet-triplet gap, the specific heat, and the susceptibility and compare with experimental data on CuGeO_3. We find that CuGeO_3 is close to a first-order phase transition. We point out, that the famous scaling law \simδ^{2/3} of the triplet gap is a simple consequence of the linear binding potential between pairs of solitons and anti-solitons in dimerized spin chains.

cond-mat