BaPtSi3: A noncentrosymmetric BCS-like superconductor

E. Bauer; R. T. Khan; H. Michor; E. Royanian; A. Grytsiv; N. Melnychenko-Koblyuk; P. Rogl; D. Reith; R. Podloucky; E.-W. Scheidt; W. Wolf; M. Marsman

doi:10.1103/PhysRevB.80.064504

BaPtSi3: A noncentrosymmetric BCS-like superconductor

E. Bauer, R. T. Khan, H. Michor, E. Royanian, A. Grytsiv, N. Melnychenko-Koblyuk, P. Rogl, D. Reith, R. Podloucky, E.-W. Scheidt, W. Wolf, M. Marsman

DOI 10.1103/PhysRevB.80.064504 · Physical Review B

T1

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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 ≈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.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
BaPtSi3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	2	Pressure not reported	onset
BaPtSi3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	2.25	Pressure not reported	midpoint
CePt3Si Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure unresolved	unknown
UIr Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
CeRhSi3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
CeIrSi3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
Cd2Re2O7 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	1	Pressure not reported	unknown
Li2Pd3B Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
Li2Pt3B Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
Mg2Al3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown