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2000


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Phenomenological damping in optical response tensors

Buckingham, A., Fischer, P.

PHYSICAL REVIEW A, 61(3), 2000 (article)

Abstract
Although perturbation theory applied to the optical response of a molecule or material system is only strictly valid far from resonances, it is often applied to ``near-resonance{''} conditions by means of complex energies incorporating damping. Inconsistent signs of the damping in optical response tensors have appeared in the recent literature, as have errors in the treatment of the perturbation by a static held. The ``equal-sign{''} convention used in a recent publication yields an unphysical material response, and Koroteev's intimation that linear electro-optical circular dichroism may exist in an optically active liquid under resonance conditions is also flawed. We show that the isotropic part of the Pockels tensor vanishes.

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DOI [BibTex]

2000


DOI [BibTex]


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Ab initio investigation of the sum-frequency hyperpolarizability of small chiral molecules

Champagne, B., Fischer, P., Buckingham, A.

CHEMICAL PHYSICS LETTERS, 331(1):83-88, 2000 (article)

Abstract
Using a sum-over-states procedure based on configuration interaction singles /6-311++G{*}{*}, we have computed the sum-frequency hyperpolarizability beta (ijk)(-3 omega; 2 omega, omega) Of two small chiral molecules, R-monofluoro-oxirane and R-(+)-propylene oxide. Excitation energies were scaled to fit experimental UV-absorption data and checked with ab initio values from time-dependent density functional theory. The isotropic part of the computed hyperpolarizabilities, beta(-3 omega; 2 omega, omega), is much smaller than that reported previously from sum-frequency generation experiments on aqueous solutions of arabinose. Comparison is made with a single-centre chiral model. (C) 2000 Elsevier Science B.V. All rights reserved.

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DOI [BibTex]

DOI [BibTex]


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Three-wave mixing in chiral liquids

Fischer, P., Wiersma, D., Righini, R., Champagne, B., Buckingham, A.

PHYSICAL REVIEW LETTERS, 85(20):4253-4256, 2000 (article)

Abstract
Second-order nonlinear optical frequency conversion in isotropic systems is only dipole allowed for sum- and difference-frequency generation in chiral media. We develop a single-center chiral model of the three-wave mixing (sum:frequency generation) nonlinearity and estimate its magnitude. We also report results from ab initio calculations and from three- and four-wave mixing experiments in support of the theoretical estimates. We show that the second-order susceptibility in chiral liquids is much smaller than previously thought.

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DOI [BibTex]

DOI [BibTex]


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Anisotropic flux pinning in thin YBCO-films by substrate modifications

Leonhardt, S., Warthmann, R., Albrecht, J., Jooss, C., Kronmüller, H., Haage, T., Zegenhagen, J., Habermeier, H.-U.

{Physica C}, 332, pages: 214-218, 2000 (article)

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A review of the magnetic relaxation and its application to the study of atomic defects in α-iron and its diuluted alloys

Blythe, H. J., Kronmüller, H., Seeger, A., Walz, F.

{Physica Status Solidi (A)}, 181, pages: 233-345, 2000 (article)

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Magnetic properties of Sm2Co17-xGax (x \textequals 0-7) compounds

Liang, B., Kleinschroth, I., Shen, B. G., Kronmüller, H.

{Journal of Applied Physics}, 87, pages: 5314-5316, 2000 (article)

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Computational micromagnetism of magnetic structures and magnetization processes in small particles

Kronmüller, H., Hertel, R.

{Journal of Magnetism and Magnetic Materials}, 215-216, pages: 11-17, 2000 (article)

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Interface-structure studies by atomic-resolution electron microscopy, order-disorder phenomena, and atomic diffusion in gas-phase-synthesized nanocrystalline solids

Schaefer, H.-E., Reimann, K., Straub, W., Phillipp, F., Tanimoto, H., Brossmann, U., Würschum, R.

{Materials Science and Engineering A}, 286, pages: 24-33, 2000 (article)

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High-performance permanent magnets

Goll, D., Kronmüller, H.

{Naturwissenschaften}, 87, pages: 423-438, 2000 (article)

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Nonlinear magnetoelastic coupling coefficients from simultaneous measurements of magnetostrictive stress and anisotropy in epitaxial magnetic films

Fähnle, M., Komelj, M.

{Journal of Applied Physics}, 88, pages: 2781-2786, 2000 (article)

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Reconstruction of the Mo(100) surface: a tight-binding study

Haas, H., Wang, C. Z., Ho, K. M., Fähnle, M., Elsässer, C.

{Surface Science}, 457, pages: L397-L403, 2000 (article)

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The strain-softening phenomenon of icosahedral Al-Pd-Mn single quasicrystals

Brunner, D., Plachke, D., Carstanjen, H. D.

{Materials Science and Engineering A}, 294-296, pages: 773-776, 2000 (article)

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Corrosion behaviour of the protective and decorative TiN coatings on large area steel strips

Vershinin, N., Filonov, K., Straumal, B., Gust, W., Wiener, I., Rabkin, E., Kazakevich, A.

{Surface and Coatings Technology}, 125, pages: 229-232, 2000 (article)

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Influence of substrate irradiation on critical density and microstructure in YBCO thin films

Leonhardt, S., Albrecht, J., Warthmann, R., Habermeier, H.-U., Kronmüller, H.

{Physica C}, 341-348, pages: 1979-1980, 2000 (article)

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Channeling of high-energy particles in bent crystals - experiments at the CERN SPS

Baurichter, A., Biino, C., Clement, M., Doble, N., Elsener, K., Fidecaro, G., Freund, A., Gatignon, L., Grafström, P., Gyr, M., Hage-Ali, M., Herr, W., Keppler, P., Kirsebom, K., Klem, J., Major, J., Medenwaldt, R., Mikkelsen, U., Moller, S. P., Siffert, P., Uggerhoj, E., Vilakazi, Z. Z., Weisse, E.

{Nuclear Instruments and Methods in Physics Research B}, 164-165, pages: 27-43, 2000 (article)

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Magnetoelastic effects in ultrathin epitaxial Ni films: An ab-initio study

Komelj, M., Fähnle, M.

{Journal of Magnetism and Magnetic Materials}, 222, pages: L 245-L 250, 2000 (article)

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Evidence for near-grain boundary lattice rotations in an Fe(Si) alloy.

Rabkin, E., Semenov, V., Bischoff, E.

{Zeitschrift f\"ur Metallkunde}, 91, pages: 165-170, 2000 (article)

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Electron focusing in metals and semimetals

Heil, J., Böhm, A., Gröger, A., Primke, M., Wyder, P., Keppler, P., Major, J., Bender, H., Schönherr, E., Wendel, H., Wolf, B., Würz, U., Grill, W., Herrenberger, S., Knauth, S., Lenzner, J.

{Physics Reports}, 323, pages: 387-455, 2000 (article)

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Analysis of the electronic structure of intermetallic compounds and application to structural defects in B2 phases

Börnsen, N., Meyer, B., Bester, G., Fähnle, M.

{Journal of Alloys and Compounds}, 308, pages: 1-14, 2000 (article)

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Melt-spun precipitation-hardened Sm2(Co,Cu,Fe,Zr)17 magnets with abnormal temperature dependence of coercivity

Goll, D., Kleinschroth, I., Sigle, W., Kronmüller, H.

{Applied Physics Letters}, 76, pages: 1054-1056, 2000 (article)

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Hydrogen-induced phase transition of GdZn1-xMgx compounds

Reule, H., Hirscher, M.

{Journal of Alloys and Compounds}, 298, pages: 1-8, 2000 (article)

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The influence of a finite bandwidth on the Verwey transition in magnetite

Brabers, J. H. V. J., Walz, F., Kronmüller, H.

{Journal of Physics: Condensed Matter}, 12, pages: 5437-5452, 2000 (article)

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Influcence of vortex-vortex interaction on critical currents across low-angle grain boundaries in YBa2Cu3O7-δ

Albrecht, J., Leonhardt, S., Kronmüller, H.

{Physical Review B}, 63, 2000 (article)

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Symmetrical Tilt Grain boundaries in body-centred cubic transition metals: An ab-initio local-density-functional study

Ochs, T., Beck, O., Elsässer, C., Meyer, B.

{Philosophical Magazine A}, 80, pages: 351-372, 2000 (article)

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The liquid ferromagnet Co80Pd20 and its critical exponent γ

Bührer, C., Beckmann, M., Fähnle, M., Maier, K.

{Journal of Magnetism and Magnetic Materials}, 212, pages: 211-224, 2000 (article)

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Irreversible magnetization processes in a soft magnetic platelet

Hertel, R., Kronmüller, H.

{Physica B}, 275, pages: 1-4, 2000 (article)

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Measurement of the Zener relaxation in high-purity FeCr single crystals

Hirscher, M., Brossmann, U., Henes, R.

{Materials Transactions, JIM}, 41, pages: 82-86, 2000 (article)

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Ab-initio statistical mechanics for alloy phase diagrams and ordering phenomena including the effect of vacancies

Lechermann, F., Fähnle, M.

{Physical Review B}, 63, 2000 (article)

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Reactions in TiO2/Ti3Al and TiO2/TiAl bilayers: Application of target-factor analysis in auger electron spectroscopy

van Lier, J., Baretzky, B., Zalar, A., Mittemeijer, E. J.

{Surface and Interface Analysis}, 30, pages: 124-129, 2000 (article)

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Ab-initio treatment of noncollinear spin systems within the atomic-sphere approximation and beyond

Grotheer, O., Ederer, C., Fähnle, M.

{Physical Review B}, 62, pages: 5601-5608, 2000 (article)

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Is d-Al-Cu-Co a random tiling?

Zeger, G., Plachke, D., Carstanjen, H. D., Trebin, H. R.

{Materials Science and Engineering A}, 294, pages: 291-294, 2000 (article)

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Nonlinear magnetoelastic coupling coefficients in Fe from an ab-initio calculation

Komelj, M., Fähnle, M.

{Journal of Magnetism and Magnetic Materials}, 220, pages: L 7-L 12, 2000 (article)

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Current densities in low-angle grain boundaries of YBCO

Albrecht, J., Warthmann, R., Leonhardt, S., Kronmüller, H.

{Physica C}, 341-348, pages: 1459-1460, 2000 (article)

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The hydrogen desorption kinetics of Pd-coated LaNi5-type films

Cuevas, F., Hirscher, M.

{Journal of Alloys and Compounds}, 313, pages: 269-275, 2000 (article)

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The structure of the trihydride GdH3

Ellner, M., Reule, H., Mittemeijer, E. J.

{Journal of Alloys and Compounds}, 309, pages: 127-131, 2000 (article)

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Corrosion resistance of the vacuum arc deposited Ti, TiN and TiO2 coatings on large area glass substrates

Vershinin, N., Filonov, K., Straumal, B., Gust, W., Dimitriou, R., Kovalev, A., Camacho, J.

{Surface and Coatings Technology}, 125, pages: 223-228, 2000 (article)

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Is the insulator-metal transition in perovskites associated with the bulk magnetic phase transition?

Baszynski, J., Walz, F., Tolinski, T.

{Sensors and Actuators}, 81, pages: 37-39, 2000 (article)

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Correlated molecular-field theory of amorphous ferromagnets and the Gibbs free energy

Fähnle, M.

{Journal of Magnetism and Magnetic Materials}, 210, pages: L 1-L 4, 2000 (article)

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Pinning mechanism of vortices at antiphase boundaries in YBa2Cu3O7-δ

Jooss, C., Warthmann, R., Kronmüller, H.

{Physical Review B}, 61, pages: 12433-12446, 2000 (article)

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Spectral distribution of activation energies in YBa2Cu3O7-δthin films

Warthmann, R., Albrecht, J., Kronmüller, H., Joos, C.

{Physical Review B}, 62, pages: 15226-15229, 2000 (article)

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Ab-initio calculation of the formation and migration energies for Monovacancies in Mg

Krimmel, H., Fähnle, M.

{Physical Review B}, 62, pages: 5489-5491, 2000 (article)

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Investigation of strain softening of icosahedral AlPdMn single quasicrystals

Brunner, D., Plachke, D., Carstanjen, H. D.

{Physica Status Solidi (A)}, 177, pages: 203-217, 2000 (article)

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Formation and evolution of the transverse anisotropy with nanocrystallization in amorphous Fe73.5CuNb3Si13.5B9 ribbons

Guo, H. Q., Kronmüller, H., Dragon, T., Cheng, Z. H., Shen, B. G.

{Physical Review}, 62, pages: 5760-5764, 2000 (article)

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Deflection of 32.8 TeV/c fully stripped Pb ions by means of a bent Si crystal

Biino, C., Clement, M., Doble, N., Elsener, K., Gatignon, L., Grafström, P., Herr, W., Keppler, P., Major, J., Mikkelsen, U., Taratin, A., Velasco, M.

{Nuclear Instruments and Methods in Physics Research B}, 160, pages: 536-543, 2000 (article)

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Replacing muons by protons: polarized beam NMR

Schüth, J., Eversheim, P.-D., Herzog, P., Maier, K., Majer, G., Meyer, P., Roduner, E.

{Physica B}, 289-290, pages: 672-675, 2000 (article)

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Charge transport mechanisms in single crystalline yttrium iron garnet as resolved by magnetic relaxation

Walz, F., Torres, L., Iñiguez, J., Kronmüller, H.

{Physica Status Solidi (A)}, 180, pages: 507-522, 2000 (article)

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Theory of self-diffusion in alkali metals I. Results for monovacancies in Li, Na, and K

Schott, V., Fähnle, M., Madden, P. A.

{Journal of Physics: Condensed Matter}, 12, pages: 1171-1194, 2000 (article)

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Theory of self-diffusion in alkali metals II. The influence of divacancies in Li

Schott, V., Fähnle, M., Madden, P. A.

{Journal of Physics: Condensed Matter}, 12, pages: 1195-1198, 2000 (article)

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Decay kinetics of nonequilibrium Al-Si solid solutions

Sluchanko, N. E., Glushkov, V. V., Demishev, S. V., Kondrin, M. V., Ischenko, T. V., Gust, W., Brazhkin, V. V., Straumal, B. B., Bruynseraede, Y., Moshchalkov, V. V.

{Physical Review B}, 61, pages: 6019-6027, 2000 (article)

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