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

J. Staun Olsen, A. Waśkowska, Leif Gerward, G. Vaitheeswaran, V. Kanchana, A. Svane, N. Shitsevalova, V.B. Fillipov

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

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
Volume31
Issue number1
Pages (from-to)3-6
ISSN0895-7959
DOIs
Publication statusPublished - 2011

Keywords

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

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