HoB4 at high pressure and low temperature: an experimental and theoretical study

Publication: Research - peer-reviewJournal article – Annual report year: 2011

  • Author: Olsen, J. Staun

    University of Copenhagen, Denmark, Oersted Laboratory, Niels Bohr Institute

  • Author: Waśkowska, A.

    Polish Academy of Sciences, Poland, Institute of Low Temperature and Structure Research

  • Author: Gerward, Leif

    Department of Physics, Technical University of Denmark, Fysikvej, 2800, Kongens Lyngby, Denmark

  • Author: Vaitheeswaran, G.

    University of Hyderabad, India, ACRHEM

  • Author: Kanchana, V.

    IIT Hyderbad, India, Department of Physics

  • Author: Svane, A.

    Aarhus University, Denmark, Department of Physics and Astronomy

  • Author: Shitsevalova, N.

    Academy of Sciences of Ukraine, Institute for Problems of Materials Science

  • Author: Fillipov, V.B.

    Academy of Sciences of Ukraine, Institute for Problems of Materials Science

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Single crystals of HoB4 have been grown and used for synchrotron X-ray diffraction studies at pressures up to 23GPa and temperatures down to 100K. The experimental bulk modulus 195 ± 6GPa is in good agreement with 188.4 and 198.2GPa values calculated in the LSDA and LSDA+U approximations, indicating that mainly the boron sublattice determines the bulk modulus. The experimental c/a ratio decreases slightly with pressure, but the effect is small. An orthorhombic distortion begins at Tc ≈ 295K, i.e. at a temperature much higher than the Neel temperature TN1=7.1K. The behavior is interpreted in terms of built-in strains and crystal mosaicity.
Original languageEnglish
JournalHigh Pressure Research
Publication date2011
Volume31
Journal number1
Pages3-6
ISSN0895-7959
DOIs
StatePublished
CitationsWeb of Science® Times Cited: 1

Keywords

  • Equation of state, Density functional theory, Crystal structure, X-ray diffraction
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