BaPtSi3: A noncentrosymmetric BCS-like superconductor
- Author(s)
- Ernst Bauer, R T Khan, Herwig Michor, Esmaeil Royanian, Andrij Grytsiv, Nataliya Melnychenko-Koblyuk, Peter Franz Rogl, David Reith, Raimund Podloucky, Ernst Wilhelm Scheidt, Walter Wolf, Martijn Marsman
- Abstract
By investigations of phase relations in the alloy system Ba-Pt-Si at 900 °C we observe the formation of the compound BaPtSi3, which crystallizes in the noncentrosymmetric BaNiSn3 structure type. Its space group is I4mm with the tetragonal lattice parameters a=0.44094(2)nm and c=1.0013(2)nm for the arc-melted compound annealed at 900 °C. The characterization of the physical properties of BaPtSi3 reveals a superconducting transition at 2.25 K with an upper critical field at T=0 K of [approximate]0.05 T. For analyzing the electronic structure, density-functional theory calculations are performed yielding very good agreement between theory and experiment for the structural properties. From relativistic electronic-structure calculations, Fermi surface nesting features are found for two characteristic double sets of bands. The spin-orbit splitting of the relativistic electronic bands is in general rather small at Fermi energy and, therefore, superconductivity adheres to an almost undisturbed BCS state.
- Organisation(s)
- Department of Physical Chemistry, Computational Materials Physics
- External organisation(s)
- Technische Universität Wien, Universität Augsburg, Materials Design s.a.r.l.
- Journal
- Physical Review B
- Volume
- 80
- ISSN
- 1098-0121
- Publication date
- 2009
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104017 Physical chemistry, 104011 Materials chemistry, 103018 Materials physics
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/872682a4-44ea-4061-990d-c8b98bf1fd4a