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, General Materials Science

Portal url

https://ucrisportal.univie.ac.at/en/publications/1fd5198f-1acb-4541-9800-12509495d4e2