Mechanical properties of non-centrosymmetric CePt3Si and CePt3B

Author(s)
G. Rogl, Dominik Legut, R. Sykora, P. Mueller, H. Mueller, E. Bauer, S. Puchegger, M. Zehetbauer, P. Rogl
Abstract

Elastic moduli, hardness (both at room temperature) and thermal expansion (4.2-670 K) have been experimentally determined for polycrystalline CePt

3Si and its prototype compound CePt

3B as well as for single-crystalline CePt

3Si. 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 CePt

3Si 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 CePt

3Si.

Organisation(s)
Department of Materials Chemistry, Faculty Center for Nano Structure Research, Physics of Nanostructured Materials
External organisation(s)
Technical University of Ostrava, Technische Universität Wien, Technische Universität Graz
Journal
Journal of Physics: Condensed Matter
Volume
29
No. of pages
9
ISSN
0953-8984
DOI
https://doi.org/10.1088/1361-648X/aa655b
Publication date
04-2017
Peer reviewed
Yes
Austrian Fields of Science 2012
104017 Physical chemistry, 104011 Materials chemistry
Keywords
ASJC Scopus subject areas
Condensed Matter Physics, Materials Science(all)
Portal url
https://ucris.univie.ac.at/portal/en/publications/mechanical-properties-of-noncentrosymmetric-cept3si-and-cept3b(1fd5198f-1acb-4541-9800-12509495d4e2).html