Journal article
HoB4 at high pressure and low temperature: an experimental and theoretical study
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.
Language: | English |
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Publisher: | Taylor & Francis |
Year: | 2011 |
Pages: | 3-6 |
Journal subtitle: | An International Journal |
ISSN: | 14772299 and 08957959 |
Types: | Journal article |
DOI: | 10.1080/08957959.2010.513683 |
crystal structure density functional theory equation of state