Publications in Scientific Journals:
G. Rogl, D. Legut, R. Sykora, P. Müller, H. Müller, E. Bauer, S. Puchegger, M. Zehetbauer, P. Rogl:
"Mechanical properties of non-centrosymmetric CePt3Si and CePt3B";
Journal of Physics: Condensed Matter,
Elastic moduli, hardness (both at room temperature) and thermal expansion (4.2-670 K) have
been experimentally determined for polycrystalline CePt3Si and its prototype compound
CePt3B as well as for single-crystalline CePt3Si. Resonant ultrasound spectroscopy was
used to determine elastic properties (Young´s modulus E and Poisson´s ratio ν) via the
eigenfrequencies of the sample and the knowledge of sample mass and dimensions. Bulk
and shear moduli were calculated from E and ν, and the respective Debye temperatures were
derived. In addition, ab initio DFT calculations were carried out for both compounds. A
comparison of parameters evaluated from DFT with those of experiments revealed, in general,
satisfactory agreement. Positive and negative thermal expansion values obtained from CePt3Si
single crystal data are fairly well explained in terms of the crystalline electric field model,
using CEF parameters derived recently from inelastic neutron scattering. DFT calculations, in
addition, demonstrate that the atomic vibrations keep almost unaffected by the antisymmetric
spin-orbit coupling present in systems with crystal structures having no inversion symmetry.
This is opposite to electronic properties, where the antisymmetric spin-orbit interaction has
shown to distinctly influence features like the superconducting condensate of CePt3Si.
non-centrosymmetric, superconductor, mechanical properties, thermal expansion, Debye temperature, ab initio
"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)
Created from the Publication Database of the Vienna University of Technology.