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Plenarvorträge - DPG-Tagungen

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Tiefe Temperaturen Freitag<br />

beobachtet, bei der Spannungssprünge in den I-U-Kennlinien aufgrund<br />

von Larkin-Ovchinikov-Vortex Instabilitäten auftreten. Die experimentell<br />

bestimmten Matching-Felder werden im Zusammenhang mit bestehenden<br />

Theorien für dünne Schichten diskutiert.<br />

TT 31.8 Fr 12:00 H20<br />

Advanced manipulation of substrates for growth induced pinning<br />

in YBCO thin films — •S. Brück 1 , J. Albrecht 1,2 , S. Leonhardt<br />

2 , R. Spolenak 1 , G. Cristiani 2 , H.–U. Habermeier 2 , and G.<br />

Schütz 1 — 1 Max-Planck-Institut für Metallforschung, Heisenbergstr.<br />

3, D-70569 Stuttgart — 2 Max-Planck-Institut für Festkörperforschung,<br />

Heisenbergstr. 1, D-70569 Stuttgart<br />

One way to enhance flux pinning and thus the critical current density<br />

in YBCO thin films is by modifying the substrates’ surface topography<br />

[1,2]. Irradiation with a focused beam of gallium ions (FIB) creates dotlike<br />

structures which induce pinning sites in the superconductor during<br />

film growth. To enhance the density of these structures it is necessary to<br />

prevent surface charging, which can be achieved by using substrates with<br />

a higher conductivity. We show AFM images of the microstructures and<br />

quantitative magnetooptical measurements of YBCO thin films grown on<br />

such sophisticated substrates. It is found, that the critical current density<br />

can be enhanced substantially by lateral size reduction of the created<br />

structures.<br />

[1] S. Leonhardt, J. Albrecht, R. Warthmann, H.-U. Habermeier and<br />

H. Kronmüller, Physica C 341-348, 1979-1980 (2000)<br />

[2] J. Albrecht, S. Leonhardt, H.-U. Habermeier, S. Brück, R. Spolenak<br />

and H. Kronmüller, Physica C, in Press<br />

TT 31.9 Fr 12:15 H20<br />

Competitive localization of vortex lines or interacting bosons<br />

by a defect — •Jan Kierfeld 1 and Valerii Vinokur 2 — 1 MPI<br />

für Kolloid- und Grenzflächenforschung, 14424 Potsdam — 2 Materials<br />

Science Division, Argonne National Laboratory<br />

We present a theory describing the localization of N three-dimensional<br />

vortex lines or two-dimensional bosons with short-ranged repulsive interaction<br />

which are competing for a single columnar defect or potential<br />

well. For N=2 we use a necklace model formulation to find a delocalization<br />

transition between two different states with a single bound particle.<br />

The transition is characterized by the onset of particle exchange on the<br />

defect. For strong repulsive interaction between vortex lines a permutation<br />

symmetry is broken and the potential well is occupied by the same<br />

particle at all times. For decreasing repulsion or increasing temperature<br />

a transition into a different bound state takes place in which the particles<br />

occupy the potential well alternately. A generalization of this transition<br />

to arbitrary vortex number N is proposed.<br />

TT 31.10 Fr 12:30 H20<br />

Enhanced Magnetic Flux Pinning of Nanocrystalline Mechanically<br />

Alloyed Bulk MgB2 by Stoichiometry Variation and Doping<br />

— •Olaf Perner 1 , Jürgen Eckert 2 , Günter Fuchs 1 , Konstantin<br />

Nenkov 1 , Bernhard Holzapfel 1 , and Ludwig Schultz 1<br />

— 1 Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden, PF<br />

270116, D-01171 Dresden — 2 TU Darmstadt, Petersenstr. 23, D-64287<br />

Darmstadt<br />

In order to overcome the poor intrinsic properties of MgB2 concerning<br />

the low upper critical field and to obtain an enhancement of the magnetic<br />

flux pinning a combination of microstructure optimization as well<br />

as chemical variation of the pure MgB2 compound were chosen.<br />

Starting from the elements Mg and B, the phase formation was realized<br />

by the mechanical alloying technique receiving a partially reacted<br />

MgB2 powder with grain sizes of about 10 nm. Short uniaxial hot pressing<br />

under vacuum led to phase pure highly densified nanocrystalline bulk<br />

samples with low impurity content. The variation of the stoichiometry by<br />

increasing and reducing the Mg content by up to 10 wt.% as well as the<br />

doping with various concentrations of SiO2 and MgO leads to increased<br />

pinning forces Fp compared to the stoichiometric composition.<br />

The MgB2 bulk sample with a Mg excess of 10 wt.% shows an improved<br />

critical temperature Tc of 36.0 K and a critical current density jc<br />

of about 10 6 A/cm 2 at 7.5 K in self field whereas Mg deficit of 10 wt.%<br />

enhances the upper critical field Hc2 (9 T at 20 K). Doping with SiO2<br />

which improves significantly Hc2 and jc reveals more effective than with<br />

MgO. Microstructure investigations will be presented.<br />

TT 32 Theoretische Modelierung von Materialien mit korrelierten Elektronen<br />

Zeit: Freitag 10:15–13:00 Raum: H18<br />

TT 32.1 Fr 10:15 H18<br />

Quasiparticles from quantum Monte Carlo: Effective mass and<br />

Wilson ratio for K3C60 — •Erik Koch and Olle Gunnarsson —<br />

Max-Planck-Institut für Festkörperforschung, Stuttgart<br />

Taking advantage of the fixed-node approximation to stabilize excited<br />

states, we calculate quasiparticle energies by quantum Monte Carlo. We<br />

apply this approach to a model describing K3C60 and show that it works<br />

surprisingly well. We determine how the quasiparticle dispersion changes<br />

with increasing correlation and compare to the many-body enhancement<br />

of the Pauli susceptibility. While the self-energies for our model seem<br />

to depend only weakly on the momentum (and band-index), we find a<br />

Wilson ration that appears to behave qualitatively different from what<br />

is expected from dynamical mean-field theory.<br />

TT 32.2 Fr 10:30 H18<br />

A wavefunction-based quantum chemical method for infinite<br />

systems — •Beate Paulus — Max-Planck-Institut für Physik komplexer<br />

Systeme, Nöthnitzer Straße 38, D-01187 Dresden<br />

Wave-function based quantum chemical methods are applied to the<br />

infinite system using an incremental scheme to partitioning the correlation<br />

energy. After the success for a wide range of semiconductors [1] and<br />

insulators even such weakly bound as rare gas crystals [2], the method<br />

is extended to strongly correlated metallic systems [3]. As example we<br />

present the cohesive energy of mercury, where the binding is entirely due<br />

to correlations. [1] B. Paulus, P. Fulde and H. Stoll,Phys. Rev. B 54<br />

(1996) 2556 [2] K. Rosciszewski, B. Paulus, P. Fulde, and H. Stoll,Phys.<br />

Rev. B 60 (1999) 7905 [3] B. Paulus, Chem. Phys. Lett. 371 (2003) 7<br />

TT 32.3 Fr 10:45 H18<br />

TiOCl, an orbital-ordered system? — •Roser Valenti 1 , T. Saha-<br />

Dasgupta 2 , Helge Rosner 3 , and Claudius Gros 4 — 1 Institut für<br />

Theoretische Physik, Universität Frankfurt, D-60054 Frankfurt — 2 S.N.<br />

Bose National Centre for Basic Sciences, Kolkata 700098, India — 3 Max-<br />

Planck Institute for Chemical Physics of Solids, D-01187 Dresden —<br />

4 Theoretische Physik, Universität des Saarlandes, D-66041 Saarbrücken<br />

We present first principles density functional calculations and downfolding<br />

studies of the electronic and magnetic properties of the layered<br />

quantum spin system TiOCl. We attempt to clarify the concept of orbital<br />

ordering in this material and discuss existing studies. An analysis<br />

of the electronic structure of slightly distorted structures according to<br />

the phononic modes allowed in this material suggests that this system is<br />

subject to large orbital fluctuations driven by the electron-phonon coupling.<br />

Based on these results, we propose a microscopic explanation of<br />

the behavior of TiOCl at lower temperatures.<br />

TT 32.4 Fr 11:00 H18<br />

Hartree-Fock-Approximation und Berücksichtigung von<br />

Abschirm-Effekten in Ab-Initio-Bandstruktur-Berechnungen<br />

— •Olaf Peschel 1 , Ilan Schnell 2 und Gerd Czycholl 1 —<br />

1 Universität Bremen, Institut für Theoretische Physik — 2 Los Alamos<br />

National Laboratory, Theoretical Division<br />

Wir gehen von den Bloch-Wellenfunktionen einer DFT-Hartree-<br />

Rechnung (ohne Austausch-Korrelationspotential) aus, die wir zu<br />

maximal lokalisierten Wannier-Funktionen Transformieren. Bezüglich<br />

dieser Basis berechnen wir die Hopping- und Coulomb-Matrixelemente<br />

des Hamilton-Operators in Zweiter Quantisierung und führen eine<br />

selbstkonsistente Hartree-Fock-Rechnung durch. Alternativ können<br />

wir eine Hartree-Fock-(HFA)-Rechnung mit bezüglich der Bloch-Basis<br />

berechneten Matrixelementen durchführen.<br />

Um über die HFA hinauszugehen und Abschirmeffekte zu berücksichtigen,<br />

berechnen wir die Suszeptibilität in verallgemeinerter Lindhard-

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