BaPtSi3: A noncentrosymmetric BCS-like superconductor

Autor(en)

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

Abstrakt

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(en)

Institut für Physikalische Chemie, Computergestützte Materialphysik

Externe Organisation(en)

Technische Universität Wien, Universität Augsburg, Materials Design s.a.r.l.

Journal

Physical Review B

Band

80

ISSN

1098-0121

Publikationsdatum

2009

Peer-reviewed

Ja

ÖFOS 2012

104017 Physikalische Chemie, 104011 Materialchemie, 103018 Materialphysik

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/872682a4-44ea-4061-990d-c8b98bf1fd4a