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  1. Article ; Online: Hydrogen in actinides: electronic and lattice properties.

    Havela, Ladislav / Legut, Dominik / Kolorenč, Jindřich

    Reports on progress in physics. Physical Society (Great Britain)

    2023  Volume 86, Issue 5

    Abstract: Hydrides of actinides, their magnetic, electronic, transport, and thermodynamic properties are discussed within a general framework of H impact on bonding, characterized by volume expansion, affecting mainly the ... ...

    Abstract Hydrides of actinides, their magnetic, electronic, transport, and thermodynamic properties are discussed within a general framework of H impact on bonding, characterized by volume expansion, affecting mainly the 5
    Language English
    Publishing date 2023-04-05
    Publishing country England
    Document type Journal Article ; Review
    ZDB-ID 205657-4
    ISSN 1361-6633 ; 0034-4885
    ISSN (online) 1361-6633
    ISSN 0034-4885
    DOI 10.1088/1361-6633/acbe50
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Bonn / Germany

    Z 52/38: Show issues

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  2. Article ; Online: New type of magnetic structure in the R

    Maskova-Cerna, Silvie / Klicpera, Milan / Svoboda, Pavel / Andreev, Alexander V / Skourski, Yurii / Reehuis, Manfred / Hoffmann, Jens-Uwe / André, Gilles / Havela, Ladislav

    Journal of physics. Condensed matter : an Institute of Physics journal

    2020  Volume 32, Issue 34, Page(s) 345801

    Abstract: Anisotropy of bulk magnetic properties and magnetic structure studies of a ... ...

    Abstract Anisotropy of bulk magnetic properties and magnetic structure studies of a Tb
    Language English
    Publishing date 2020-03-27
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472968-4
    ISSN 1361-648X ; 0953-8984
    ISSN (online) 1361-648X
    ISSN 0953-8984
    DOI 10.1088/1361-648X/ab8428
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Book ; Online: Synthesis and physical properties of uranium thin-film hydrides UH2 and \b{eta}-UH3

    Tereshina-Chitrova, Evgenia A. / Havela, Ladislav / Paukov, Mykhaylo / Koloskova, Oleksandra / Horak, Lukas / Dopita, Milan / Celis, Mayerling Martinez / Cieslar, Miroslav / Soban, Zbynek / Gouder, Thomas / Huber, Frank

    2022  

    Abstract: Formation of thin uranium hydrides films, UH2 and \b{eta}-UH3, synthesized by a reactive dc sputtering of uranium metal, was explored using variable deposition conditions. Obtained stable oxygen-free hydride films were studied by a variety of methods, ... ...

    Abstract Formation of thin uranium hydrides films, UH2 and \b{eta}-UH3, synthesized by a reactive dc sputtering of uranium metal, was explored using variable deposition conditions. Obtained stable oxygen-free hydride films were studied by a variety of methods, both in situ (photoelectron spectroscopy - XPS), and ex-situ (x-ray diffraction - XRD, transmission electron microscopy - TEM), electrical resistivity, and magnetometry). Both types of hydrides are ferromagnetic, the Curie temperatures of UH2 and \b{eta}-UH3 are approx. 120 and 170 K, respectively. Ferromagnetism in the thin films is robust and does not depend on structure details while electrical resistivity data reflect disorder in both types of hydrides.
    Keywords Condensed Matter - Materials Science
    Publishing date 2022-11-11
    Publishing country us
    Document type Book ; Online
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  4. Article: Low-temperature Properties of U2Co2InH1.9

    Havela, Ladislav / Khrystyna Miliyanchuk / Laura C. J. Pereira / Eva Šantavá

    Zeitschrift für Naturforschung. 2014 June 2, v. 62, no. 7

    2014  

    Abstract: U₂Co₂InH₁.₉, synthesized by high-pressure hydrogenation of U₂Co₂In, crystallizes in the tetragonal structure similar to the parent compound, expanded by 8.4 %. Although U₂Co₂In is a weak paramagnet, its hydride shows properties suggesting a proximity to ... ...

    Abstract U₂Co₂InH₁.₉, synthesized by high-pressure hydrogenation of U₂Co₂In, crystallizes in the tetragonal structure similar to the parent compound, expanded by 8.4 %. Although U₂Co₂In is a weak paramagnet, its hydride shows properties suggesting a proximity to the magnetic order. Its magnetic susceptibility exhibits a maximum at T = 2.4 K, ascribed to spin fluctuations. Magnetization at low temperatures goes through a metamagnetic transition between 2 - 3 T. The specific heat characteristics, with a pronounced upturn of Cp/T vs. T at low temperatures which can be fitted using an additional −T ¹/² term, resemble the behaviour of U₂Co₂Sn. The γ coefficient of the electronic specific heat, reaching 244 mJ mol⁻¹ K⁻², is gradually suppressed by high magnetic fields.
    Keywords hydrides ; hydrogenation ; magnetic fields ; specific heat ; temperature
    Language English
    Dates of publication 2014-0602
    Size p. 977-981.
    Publishing place Verlag der Zeitschrift für Naturforschung
    Document type Article
    ZDB-ID 124635-5
    ISSN 0340-5087 ; 0044-3174 ; 0932-0776 ; 0341-0447 ; 0341-0420
    ISSN 0340-5087 ; 0044-3174 ; 0932-0776 ; 0341-0447 ; 0341-0420
    DOI 10.1515/znb-2007-0716
    Database NAL-Catalogue (AGRICOLA)

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    In stock of ZB MED Bonn / Germany

    Z 4' 47/11 b: Show issues
    Z 9.8: Show issues

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  5. Article ; Online: Crystal Structure and Magnetic Properties of Uranium Hydride UH

    Havela, Ladislav / Paukov, Mykhaylo / Dopita, Milan / Horák, Lukáš / Drozdenko, Daria / Diviš, Martin / Turek, Ilja / Legut, Dominik / Kývala, Lukáš / Gouder, Thomas / Seibert, Alice / Huber, Frank

    Inorganic chemistry

    2018  Volume 57, Issue 23, Page(s) 14727–14732

    Abstract: A new type of uranium binary hydride, ... ...

    Abstract A new type of uranium binary hydride, UH
    Language English
    Publishing date 2018-11-14
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1484438-2
    ISSN 1520-510X ; 0020-1669
    ISSN (online) 1520-510X
    ISSN 0020-1669
    DOI 10.1021/acs.inorgchem.8b02499
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  6. Article ; Online: HOLZ rings in EBSD patterns of the UFeB₄ compound: association with a random distribution of planar defects.

    Dias, Marta / Carvalho, Patrícia Almeida / Dos Santos, Isabel Cordeiro / Tougait, Olivier / Havela, Ladislav / Gonçalves, António Pereira

    Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada

    2013  Volume 19, Issue 5, Page(s) 1204–1210

    Abstract: The UFeB₄ phase present in different alloys of the B-Fe-U system was studied by powder X-ray diffraction (PXRD) and scanning electron microscopy complemented with energy-dispersive spectroscopy and electron backscattered diffraction (EBSD). The PXRD data ...

    Abstract The UFeB₄ phase present in different alloys of the B-Fe-U system was studied by powder X-ray diffraction (PXRD) and scanning electron microscopy complemented with energy-dispersive spectroscopy and electron backscattered diffraction (EBSD). The PXRD data showed that the ternary compound crystallized adopting essentially the YCrB₄-type structure. However, microstructural observations revealed that under high undercooling conditions the UFeB₄ phase exhibits a random distribution of defects parallel to, which are consistently associated with intense higher-order Laue zone rings in EBSD patterns. Indexation of the EBSD patterns showed that the defective structure is compatible with an intergrowth of YCrB₄- and ThMoB₄-type layers according to the (010)(YCrB₄)//(110)(ThMoB₄) and [001]YCrB₄//[001](ThMoB₄) orientation relation previously reported for an analogous compound. Magnetic studies indicated that the annealed UFeB₄ compound has a paramagnetic behavior in the 2-300 K temperature range.
    Language English
    Publishing date 2013-10
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1385710-1
    ISSN 1435-8115 ; 1431-9276
    ISSN (online) 1435-8115
    ISSN 1431-9276
    DOI 10.1017/S1431927613013366
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  7. Article ; Online: Synthesis and structural/physical properties of U3Fe2Ge7: a single-crystal study.

    Henriques, Margarida S / Gorbunov, Denis I / Waerenborgh, João C / Pasturel, Mathieu / Andreev, Alexander V / Dušek, Michal / Skourski, Yurii / Havela, Ladislav / Gonçalves, António P

    Inorganic chemistry

    2015  Volume 54, Issue 19, Page(s) 9646–9655

    Abstract: A single crystal of U3Fe2Ge7 was synthesized by the tin-flux method, and its structural and electronic properties were studied. The compound crystallizes in the orthorhombic crystal structure of La3Co2Sn7 type with two Wyckoff sites for the U atoms. ... ...

    Abstract A single crystal of U3Fe2Ge7 was synthesized by the tin-flux method, and its structural and electronic properties were studied. The compound crystallizes in the orthorhombic crystal structure of La3Co2Sn7 type with two Wyckoff sites for the U atoms. U3Fe2Ge7 displays a ferromagnetic order below TC = 62 K. Magnetization measurements in static (up to 14 T) and pulsed (up to 60 T) magnetic fields revealed a strong two-ion uniaxial magnetic anisotropy. The easy magnetization direction is along the c axis and the spontaneous magnetic moment is 3.3 μB per formula unit at 2 K. The moment per Fe atom is 0.2 μB, as follows from Mössbauer spectroscopy. The magnetic moments are oriented perpendicular to the shortest inter-uranium distances that occur within the zigzag chains in the ab plane, contrary to other U-based isostructural compounds. The magnetization along the a axis reveals a first-order magnetization process that allows for a quantitative description of the magnetic anisotropy in spite of its enormous energetic strength. The strong anisotropy is reflected in the specific heat and electrical resistivity that are affected by a gap in magnon spectrum.
    Language English
    Publishing date 2015-10-05
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1484438-2
    ISSN 1520-510X ; 0020-1669
    ISSN (online) 1520-510X
    ISSN 0020-1669
    DOI 10.1021/acs.inorgchem.5b01736
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  8. Book ; Online: Electronic structure and spectral properties of Am, Cm and Bk

    Shick, Alexander B. / Kolorenč, Jindrich / Lichtenstein, Alexander I. / Havela, Ladislav

    Charge density self-consistent LDA+HIA calculations in FP-LAPW basis

    2009  

    Abstract: We provide a straightforward and numerically efficient procedure to perform local density approximation + Hubbard I (LDA+HIA) calculations, including self-consistency over the charge density, within the full potential linearized augmented plane wave (FP- ... ...

    Abstract We provide a straightforward and numerically efficient procedure to perform local density approximation + Hubbard I (LDA+HIA) calculations, including self-consistency over the charge density, within the full potential linearized augmented plane wave (FP-LAPW) method. This implementation is all-electron, includes spin-orbit interaction, and makes no shape approximations for the charge density. The method is applied to calculate selected heavy actinides in the paramagnetic phase. The electronic structure and spectral properties of Am and Cm metals obtained are in agreement with previous dynamical mean-field theory (LDA+DMFT) calculations and with available experimental data. We point out that the charge density self-consistent LDA+HIA calculations predict the $f$ charge on Bk to exceed the atomic integer $f^8$ value by 0.22.

    Comment: 8 pages, 1 figure
    Keywords Condensed Matter - Materials Science ; Condensed Matter - Strongly Correlated Electrons
    Subject code 541
    Publishing date 2009-03-11
    Publishing country us
    Document type Book ; Online
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  9. Book ; Online: Materials for hydrogen-based energy storage

    Yartys, Volodymyr A. / Baricco, Marcello / von Colbe, Jose Bellosta / Blanchard, Didier / Bowman Jr., Robert C. / Broom, Darren P. / Buckley, Craig E. / Chang, Fei / Chen, Ping / Cho, Young Whan / Crivello, Jean-Claude / Cuevas, Fermin / David, William I. F. / de Jongh, Petra E. / Denys, Roman V. / Dornheim, Martin / Felderhoff, Michael / Filinchuk, Yaroslav / Froudakis, George E. /
    Grant, David M. / Hauback, Bjørn C. / Havela, Ladislav / He, Teng / Hirscher, Michael / Humphries, Terry D. / Jensen, Torben R. / Kim, Sangryun / Kojima, Yoshitsugu / Latroche, Michel / Li, Hai-Wen / Lototskyy, Mykhaylo V. / Makepeace, Joshua W. / Møller, Kasper T. / Naheed, Lubna / Ngene, Peter / Noréus, Dag / Nygård, Magnus Moe / Orimo, Shin-ichi / Paskevicius, Mark / Pasquini, Luca / Ravnsbæk, Dorthe B. / Sofianos, M. Veronica / Udovic, Terrence J. / Vegge, Tejs / Walker, Gavin S. / Webb, Colin J. / Weidenthaler, Claudia / Zlotea, Claudia

    Past, recent progress and future outlook

    2020  

    Abstract: Magnesium hydride owns the largest share of publications on solid materials for hydrogen storage. The Magnesium group of international experts contributing to IEA Task 32 Hydrogen Based Energy Storage recently published two review papers presenting the ... ...

    Abstract Magnesium hydride owns the largest share of publications on solid materials for hydrogen storage. The Magnesium group of international experts contributing to IEA Task 32 Hydrogen Based Energy Storage recently published two review papers presenting the activities of the group focused on magnesium hydride based materials and on Mg based compounds for hydrogen and energy storage. This review article not only overviews the latest activities on both fundamental aspects of Mg-based hydrides and their applications, but also presents a historic overview on the topic and outlines projected future developments. Particular attention is paid to the theoretical and experimental studies of Mg-H system at extreme pressures, kinetics and thermodynamics of the systems based on MgH2,nanostructuring, new Mg-based compounds and novel composites, and catalysis in the Mg based H storage systems. Finally, thermal energy storage and upscaled H storage systems accommodating MgH2 are presented.
    Keywords Condensed Matter - Materials Science ; Condensed Matter - Other Condensed Matter
    Subject code 540
    Publishing date 2020-05-07
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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