Header logo is


2005


no image
First-principles investigation of the Ni-Fe-Al system

Lechermann, F., Fähnle, M., Sanchez, J. M.

{Intermetallics}, 13((10)):1096-1109, 2005 (article)

mms

[BibTex]

2005


[BibTex]


no image
GdN thin films: Bulk and local electronic and magnetic properties

Leuenberger, F., Parge, A., Felsch, W., Fauth, K., He\ssler, M.

{Physical Review B}, 72(1), 2005 (article)

mms

[BibTex]

[BibTex]


no image
Hydrogen permeation through Pd/Fe and Pd/Ni multilayer systems

Yamakawa, K., Ege, M., Hirscher, M., Ludescher, B., Kronmüller, H.

{Journal of Alloys and Compounds}, 393(1-2):5-10, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Parametrization of the magnetic energy at the atomic level

Drautz, R., Fähnle, M.

{Physical Review B}, 72, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Time-scales of electronic processes in Fe3O4 - An attempt to resolve a recently accentuated controversy

Fähnle, M., Kronmüller, H., Walz, F.

{Physica B}, 369, pages: 177-180, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Interlayer contraction in MgB2 upon replacement of Mg by Al: Effect of the covalent bond energy

Bester, G., Fähnle, M.

{Physical Review B}, 72, 2005 (article)

mms

[BibTex]

[BibTex]


no image
First-principles atomistic modeling of ordering phenomena and phase diagrams

Fähnle, M., Drautz, R., Lechermann, F., Singer, R., Diaz-Ortiz, A., Dosch, H.

{TMS Letters}, 2(1):7-8, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Constrained spin-density functional theory for excited magnetic configurations in an adiabatic approximation

Singer, R., Fähnle, M., Bihlmayer, G.

{Physical Review B}, 71, 2005 (article)

mms

[BibTex]

[BibTex]


no image
The influence of magnetism on atomic defects and diffusion: model calculations and ab initio electron theory

Fähnle, M., Schimmele, L.

{Defect and Diffusion Forum}, 237-240, pages: 19-29, 2005 (article)

mms

[BibTex]

[BibTex]


no image
X-ray magnetic circular dichroism sum rule correction for the light transition metals

Goering, E.

{Philosophical Magazine}, 85, pages: 2895-2911, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Temperature dependence of the magnetocrystalline anisotropy energy and projected microscopic magnetic moments in epitaxial CrO2 films

Gold, S., Goering, E., König, C., Rüdiger, U., Güntherodt, G., Schütz, G.

{Physical Review B}, 71(22), 2005 (article)

mms

[BibTex]


no image
On the imaging of the flux-line lattice of a type-II superconductor by soft X-ray absorption spectroscopy

Fähnle, M., Albrecht, J., Eimüller, T., Fisher, P., Goering, E., Steiauf, D., Schütz, G.

{Journal of Synchrotron Radiation}, 12, pages: 251-253, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Grain-boundary melting phase transition in the Cu-Bi system

Divinski, S., Lohmann, M., Herzig, C., Straumal, B., Baretzky, B., Gust, W.

{Physical Review B}, 71, 2005 (article)

mms

[BibTex]

[BibTex]


no image
A fast ab initio approach to the simulation of spin dynamics

Fähnle, M., Drautz, R., Singer, R., Steiauf, D., Berkov, D. V.

{Computational Materials Science}, 32, pages: 118-122, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Hydrogen adsorption in different carbon nanostructures

Panella, B., Hirscher, M., Roth, S.

{Carbon}, 43, pages: 2209-2214, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Synthesis of the nanocrystalline MgS and its interaction with hydrogen

Goo, N. H., Hirscher, M.

{Journal of Alloys and Compounds}, 404, pages: 503-506, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Time-scales of electronic processes in Fe3O4 - An attempt to resolve a recently accentuated controversy

Fähnle, M., Kronmüller, H., Walz, F.

{Physica B}, 369, pages: 177-180, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Bending of magnetic avalanches in MgB2 thin films

Albrecht, J., Matveev, A., Djupmyr, M., Schütz, G., Stuhlhofer, B., Habermeier, H.

{Applied Physics Letters}, 87, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Magnetic pinning of flux lines in heterostructures of cuprates and manganites

Albrecht, J., Soltan, S., Habermeier, H.-U.

{Physical Review B}, 72, 2005 (article)

mms

[BibTex]

[BibTex]


no image
On the pair-potential modelling of alloy surfaces

Drautz, R., Fähnle, M.

{Surface Science}, 585, pages: 108-112, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Crystal field parameters at the (0001) surface of rare-earth metals: an ab initio study

Welsch, F., Fähnle, M., Jensen, P. J.

{Journal of Physics: Condensed Matter}, 17, pages: 2061-2072, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Spatially resolved ferromagnetic resonance: Imaging of ferromagnetic eigenmodes

Puzic, A., Van Waeyenberge, B., Chou, K. W., Fischer, P., Stoll, H., Schütz, G., Tyliszczak, T., Rott, K., Brückl, H., Reiss, G., Neudecker, I., Haug, T., Buess, M., Back, C. H.

{Journal of Applied Physics}, 97, 2005 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Proton magnetic resonance spectra of YH3 and LuH3

Brady, S. K., Conradi, M. S., Majer, G., Barnes, R. G.

{Physical Review B}, 72, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Hydrogen storage in spherical nanoporous carbons

Terres, E., Panella, B., Hayashi, T., Kim, Y. A., Endo, M., Dominguez, J. M., Hirscher, M., Terrones, H., Terrones, H.

{Chemical Physics Letters}, 403(4-6):363-366, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Faceting and migration of twin grain boundaries in zinc

Straumal, B. B., Rabkin, E., Sursaeva, V. G., Goruakova, A. S.

{Zeitschrift f\"ur Metallkunde}, 96(2):161-166, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Nanostructures with high surface area for hydrogen storage

Hirscher, M., Panella, B.

{Journal of Alloys and Compounds}, 404, pages: 399-401, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Timescale settling and nature of electron transport in magnetite - General considerations in view of new magnetic after-effect results on dilutely Ti4+-doped Fe3O4

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

{Journal of Physics: Condensed Matter}, 17(42):6763-6781, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Topological k-space refinement of the configurational energy of alloys

Shchyglo, O., Bugaev, V. N., Drautz, R., Udyansky, A., Reichert, H., Dosch, H.

{Physical Review B}, 72(14), 2005 (article)

mms

[BibTex]

[BibTex]


no image
Large surface area nanostructures for hydrogen storage

Hirscher, M., Panella, B.

{Annales de Chimie}, 30(5):519-529, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Electronic and magnetic properties of ligand-free FePt nanoparticles

Boyen, H., Fauth, K., Stahl, B., Ziemann, P., Kästle, G., Weigl, F., Banhart, F., He\ssler, M., Schütz, G., Gajbhiye, N. S., Ellrich, J., Hahn, H., Büttner, M., Garnier, M. G., Oelhafen, P.

{Advanced Materials}, 17(5):574-578, 2005 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Identification of extrinsic Mn contributions in Ga1-xMnxAs by field-dependent magnetic circular X-ray dichroism

Rader, O., Fauth, K., Gould, C., Rüster, C., Schott, G. M., Schmidt, G., Brunner, K., Molenkamp, L. W., Schütz, G., Kronast, F., Dürr, H. A., Eberhardt, W., Gudat, W.

{Journal of Electron Spectroscopy and Related Phenomena}, 144(Sp. issue):789-792, 2005 (article)

mms

DOI [BibTex]

DOI [BibTex]


no image
Fundamentals of interface phenomena in advanced bulk nanoscale materials

Baretzky, B., Baró, M. D., Grabovetskaya, G. P., Gubicza, J., Ivanov, M. B., Kolobov, Y. R., Langdon, T. G., Lendvai, J., Lipnitskii, A. G., Mazilkin, A. A., Nazarov, A. A., Nogués, J., Ovidko, I. A., Protasova, S. G., Raab, G. I., Révész, Á., Skiba, N. V., Sort, J., Starink, M. J., Straumal, B. B., Suriñach, S., Ungár, T., Zhilyaev, A. P.

{Reviews on Advanced Materials Science}, 9(1):45-108, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Formation of nanostructure during high-pressure torsion of Al-Zn, Al-Mg and Al-Zn-Mg alloys

Mazilkin, A. A., Kogtenkova, O. A., Straumal, B. B., Ruslan, Z, Valiev, Z., Baretzky, B.

{Defect and Diffusion Forum}, 237-240, pages: 739-744, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Micromagnetic simulation as a bridge between magnetic-force and magnetic-transmission X-ray microscopy

Bolte, M., Eiselt, R., Eimüller, T.

{Journal of Magnetism and Magnetic Materials}, 290, pages: 723-726, 2005 (article)

mms

[BibTex]

[BibTex]


no image
Grain-boundary melting phase transition in the Cu-Bi system

Divinski, S., Lohmann, M., Herzig, C., Straumal, B., Baretzky, B., Gust, W.

{Physical Review B}, 71, 2005 (article)

mms

[BibTex]

[BibTex]

2000


no image
Advances in Large Margin Classifiers

Smola, A., Bartlett, P., Schölkopf, B., Schuurmans, D.

pages: 422, Neural Information Processing, MIT Press, Cambridge, MA, USA, October 2000 (book)

Abstract
The concept of large margins is a unifying principle for the analysis of many different approaches to the classification of data from examples, including boosting, mathematical programming, neural networks, and support vector machines. The fact that it is the margin, or confidence level, of a classification--that is, a scale parameter--rather than a raw training error that matters has become a key tool for dealing with classifiers. This book shows how this idea applies to both the theoretical analysis and the design of algorithms. The book provides an overview of recent developments in large margin classifiers, examines connections with other methods (e.g., Bayesian inference), and identifies strengths and weaknesses of the method, as well as directions for future research. Among the contributors are Manfred Opper, Vladimir Vapnik, and Grace Wahba.

ei

Web [BibTex]

2000


Web [BibTex]


Thumb xl toc image
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.

pf

DOI [BibTex]

DOI [BibTex]


Thumb xl toc image
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.

pf

DOI [BibTex]

DOI [BibTex]


Thumb xl toc image
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.

pf

DOI [BibTex]

DOI [BibTex]


no image
Two-dimensional fine particle positioning under an optical microscope using a piezoresistive cantilever as a manipulator

Sitti, M., Hashimoto, H.

journal of Micromechatronics, 1(1):25-48, Brill, 2000 (article)

pi

[BibTex]


no image
A brachiating robot controller

Nakanishi, J., Fukuda, T., Koditschek, D. E.

IEEE Transactions on Robotics and Automation, 16(2):109-123, 2000, clmc (article)

Abstract
We report on our empirical studies of a new controller for a two-link brachiating robot. Motivated by the pendulum-like motion of an apeâ??s brachiation, we encode this task as the output of a â??target dynamical system.â? Numerical simulations indicate that the resulting controller solves a number of brachiation problems that we term the â??ladder,â? â??swing-up,â? and â??ropeâ? problems. Preliminary analysis provides some explanation for this success. The proposed controller is implemented on a physical system in our laboratory. The robot achieves behaviors including â??swing locomotionâ? and â??swing upâ? and is capable of continuous locomotion over several rungs of a ladder. We discuss a number of formal questions whose answers will be required to gain a full understanding of the strengths and weaknesses of this approach.

am

link (url) [BibTex]

link (url) [BibTex]


no image
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)

mms

[BibTex]

[BibTex]


no image
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)

mms

[BibTex]

[BibTex]


no image
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)

mms

[BibTex]

[BibTex]


no image
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)

mms

[BibTex]

[BibTex]


no image
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)

mms

[BibTex]

[BibTex]


no image
High-performance permanent magnets

Goll, D., Kronmüller, H.

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

mms

[BibTex]

[BibTex]


no image
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)

mms

[BibTex]


no image
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)

mms

[BibTex]

[BibTex]