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2005


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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)

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[BibTex]

2005



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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)

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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Hydrogen adsorption in different carbon nanostructures

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

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

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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Magnetic pinning of flux lines in heterostructures of cuprates and manganites

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

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

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[BibTex]

[BibTex]


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On the pair-potential modelling of alloy surfaces

Drautz, R., Fähnle, M.

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

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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Nanostructures with high surface area for hydrogen storage

Hirscher, M., Panella, B.

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

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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Large surface area nanostructures for hydrogen storage

Hirscher, M., Panella, B.

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

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[BibTex]

[BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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DOI [BibTex]

DOI [BibTex]


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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)

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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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)

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[BibTex]

[BibTex]


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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]

2001


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Regularized principal manifolds

Smola, A., Mika, S., Schölkopf, B., Williamson, R.

Journal of Machine Learning Research, 1, pages: 179-209, June 2001 (article)

Abstract
Many settings of unsupervised learning can be viewed as quantization problems - the minimization of the expected quantization error subject to some restrictions. This allows the use of tools such as regularization from the theory of (supervised) risk minimization for unsupervised learning. This setting turns out to be closely related to principal curves, the generative topographic map, and robust coding. We explore this connection in two ways: (1) we propose an algorithm for finding principal manifolds that can be regularized in a variety of ways; and (2) we derive uniform convergence bounds and hence bounds on the learning rates of the algorithm. In particular, we give bounds on the covering numbers which allows us to obtain nearly optimal learning rates for certain types of regularization operators. Experimental results demonstrate the feasibility of the approach.

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PDF [BibTex]

2001


PDF [BibTex]


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The psychometric function: II. Bootstrap-based confidence intervals and sampling

Wichmann, F., Hill, N.

Perception and Psychophysics, 63 (8), pages: 1314-1329, 2001 (article)

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PDF [BibTex]

PDF [BibTex]


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The psychometric function: I. Fitting, sampling and goodness-of-fit

Wichmann, F., Hill, N.

Perception and Psychophysics, 63 (8), pages: 1293-1313, 2001 (article)

Abstract
The psychometric function relates an observer'sperformance to an independent variable, usually some physical quantity of a stimulus in a psychophysical task. This paper, together with its companion paper (Wichmann & Hill, 2001), describes an integrated approach to (1) fitting psychometric functions, (2) assessing the goodness of fit, and (3) providing confidence intervals for the function'sparameters and other estimates derived from them, for the purposes of hypothesis testing. The present paper deals with the first two topics, describing a constrained maximum-likelihood method of parameter estimation and developing several goodness-of-fit tests. Using Monte Carlo simulations, we deal with two specific difficulties that arise when fitting functions to psychophysical data. First, we note that human observers are prone to stimulus-independent errors (or lapses ). We show that failure to account for this can lead to serious biases in estimates of the psychometric function'sparameters and illustrate how the problem may be overcome. Second, we note that psychophysical data sets are usually rather small by the standards required by most of the commonly applied statistical tests. We demonstrate the potential errors of applying traditional X^2 methods to psychophysical data and advocate use of Monte Carlo resampling techniques that do not rely on asymptotic theory. We have made available the software to implement our methods

ei

PDF [BibTex]

PDF [BibTex]


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Markovian domain fingerprinting: statistical segmentation of protein sequences

Bejerano, G., Seldin, Y., Margalit, H., Tishby, N.

Bioinformatics, 17(10):927-934, 2001 (article)

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PDF Web [BibTex]

PDF Web [BibTex]


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Isotropic second-order nonlinear optical susceptibilities

Fischer, P., Buckingham, A., Albrecht, A.

PHYSICAL REVIEW A, 64(5), 2001 (article)

Abstract
The second-order nonlinear optical susceptibility, in the electric dipole approximation, is only nonvanishing for materials that are noncentrosymmetric. Should the medium be isotropic, then only a chiral system. such as an optically active liquid, satisfies this symmetry requirement. We derive the quantum-mechanical form of the isotropic component of the sum- and difference-frequency susceptibility and discuss its unusual spectral properties. We show that any coherent second-order nonlinear optical process in a system of randomly oriented molecules requires the medium to be chiral. and the incident frequencies to be different and nonzero. Furthermore, a minimum of two nondegenerate excited molecular states are needed for the isotropic part of the susceptibility to be nonvanishing. The rotationally invariant susceptibility is zero in the static field limit and shows exceptionally sensitive resonance and dephasing effects that are particular to chiral centers.

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DOI [BibTex]

DOI [BibTex]


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Reply to “Comment on ‘Phenomenological damping in optical response tensors’”

Buckingham, A., Fischer, P.

PHYSICAL REVIEW A, 63(4), 2001 (article)

Abstract
We show that damping factors must not be incorporated in the perturbation of the ground state by a static electric field. If they are included, as in the theory of Stedman et al. {[}preceding Comment. Phys. Rev. A 63, 047801 (2001)], then there would be an electric dipole in the y direction induced in a hydrogen atom in the M-s = + 1/2 state by a static electric field in the x direction. Such a dipole is excluded by symmetry.

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DOI [BibTex]


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The coercivity of the melt-spun Sm-Fe-Ga-C permanent magnets and the effect of additives (Nb, Cu and Zr)

Zhang, J. X., Kleinschroth, I., Goll, D., Cuevas, F., Kronmüller, H.

{Journal of Physics-Condensed Matter}, 13(46):10487-10496, 2001 (article)

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[BibTex]

[BibTex]


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Hardness-depth profile of a carbon-implanted Ti-6Al-4V alloy and its relation to composition and microstructure

Kunert, M., Kienzle, O., Baretzky, B., Baker, S. P., Mittemeijer, E. J.

{Journal of Materials Research}, 16(8):2321-2335, 2001 (article)

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[BibTex]

[BibTex]


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New Sm(Co, Fe, Cu, Zr)(z) magnets with better temperature stability

Tang, W., Zhang, Y., Goll, D., Hadjipanayis, G. C., Kronmüller, H.

{Journal of Magnetism and Magnetic Materials}, 226(Sp. Iss. SI):1365-1366, 2001 (article)

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[BibTex]

[BibTex]


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Hydrogen in nanostructured vanadium-hydrogen systems

Orimo, S., Kimmerle, F., Majer, G.

{Physical Review B}, 63(9), 2001 (article)

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[BibTex]

[BibTex]


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Diffusion of hydrogen in heterogeneous systems

Herrmann, A., Schimmele, L., Mössinger, J., Hirscher, M., Kronmüller, H.

{Applied Physics A-Materials Science \& Processing}, 72(2):197-208, 2001 (article)

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[BibTex]

[BibTex]


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Structural vacancies in B2-CoAl and NiAl

Meyer, B., Bester, G., Fähnle, M.

{Scripta Materialia}, 44, pages: 2485-2488, 2001 (article)

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[BibTex]

[BibTex]


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Grain boundary phase transition in the Cu-Bi system

Straumal, B. B., Prokofyev, S. I., Chang, L.-S., Sluchanko, N. E., Baretzky, B., Gust, W., Mittemeijer, E. J.

{Diffusion and Defect Forum}, 194-199, pages: 1343-1348, 2001 (article)

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[BibTex]

[BibTex]


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Carbon nanostructures: an efficient hydrogen storage medium for fuel cells

Atkinson, K., Roth, S., Hirscher, M., Grünwald, W.

{Fuel Cells Bulletin}, 4(38):9-12, 2001 (article)

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[BibTex]

[BibTex]


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Magnetic domains in nanostructured media studied with M-TXM

Fischer, P., Eimüller, T., Schütz, G., Bayreuther, G., Tsunashima, S., Tagaki, N., Denbeaux, G., Attwood, D.

{Journal of Synchrotron Radiation}, 8, pages: 325-327, 2001 (article)

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[BibTex]

[BibTex]


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Compound formation and abrasion resistance of ion-implanted Ti6Al4V

Schmidt, H., Schminke, A., Schmiedgen, M., Baretzky, B.

{Acta Materialia}, 49, pages: 487-495, 2001 (article)

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[BibTex]

[BibTex]


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Interpretation of ab initio total energy results in a chemical language: I. Formalism and implementation into a mixed-basis pseudopotential code

Bester, G., Fähnle, M.

{Journal of Physics-Condensed Matter}, 13(50):11541-11550, 2001 (article)

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[BibTex]

[BibTex]


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Faceting of \sum3 and \sum9 grain boundaries in copper

Straumal, B. B., Polyakov, S. A., Bischoff, E., Gust, W., Mittemeijer, E. J.

{Interface Science}, 9(3-4):287-292, 2001 (article)

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[BibTex]

[BibTex]


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Generation and application of ultra-high-intensity magnetic field gradient pulses for NMR spectroscopy

Galvosas, P., Stallmach, F., Seiffert, G., Karger, J., Kaess, U., Majer, G.

{Journal of Magnetic Resonance}, 151(2):260-268, 2001 (article)

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[BibTex]

[BibTex]


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Formation and structure of highly over-stoichiometric LaNi5+x (x\textasciitilde1) alloys obtained by manifold non-equilibrium methods

Cuevas, F., Latroche, M., Hirscher, M., Percheron-Guegan, A.

{Journal of Alloys and Compounds}, 323, pages: 4-7, 2001 (article)

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[BibTex]

[BibTex]


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Hydrogen permeability measurement through Pd, Ni and Fe membranes

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

{Journal of Alloys and Compounds}, 321(1):17-23, 2001 (article)

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[BibTex]

[BibTex]


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Ab-initio statistical mechanics for the phase diagram of NiAl including the effect of vacancies

Lechermann, F., Fähnle, M.

{Physica Status Solidi B-Basic Research}, 224(2):R4-R6, 2001 (article)

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[BibTex]

[BibTex]


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Uniaxial orientational order-disorder transitions in diammine magnesium halides, Mg(ND3)2Cl2 and Mg(ND3)2Br2, investigated by neutron diffraction

Leineweber, A., Jacobs, H., Fischer, P., Böttger, G.

{Journal of Solid State Chemistry}, 156(2):487-499, 2001 (article)

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[BibTex]

[BibTex]


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XMCD study of the Ruddlesden-Popper Phase La1.2Nd0.2Sr1.6Mn2O7

Weigand, F., Goering, E., Geissler, J., Justen, M., Dörr, K., Ruck, K., Schütz, G.

{Journal of Synchrotron Radiation}, 8, pages: 431-433, 2001 (article)

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DOI [BibTex]

DOI [BibTex]