CePt3Si is a novel heavy fermion superconductor, crystallizing in the CePt3B structure as a tetragonally distorted low symmetry variant of the AuCu3 structure type. CePt3Si exhibits antiferromagnetic order at T(N) approximately 2.2 K and enters into a heavy fermion superconducting state at T(c) approximately 0.75 K. Large values of H(')(c2) approximately -8.5 T/K and H(c2)(0) approximately 5 T refer to heavy quasiparticles forming Cooper pairs. Hitherto, CePt3Si is the first heavy fermion superconductor without a center of symmetry.

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We report on novel antiferromagnetic (AFM) and superconducting (SC) properties of noncentrosymmetric CePt3Si through measurements of the 195Pt nuclear spin-lattice relaxation rate 1/T(1). In the normal state, the temperature (T) dependence of 1/T(1) unraveled the existence of low-lying levels in crystal-electric-field multiplets and the formation of a heavy-fermion (HF) state. The coexistence of AFM and SC phases that emerge at T(N)=2.2 K and T(c)=0.75 K, respectively, takes place on a microscopic level. CePt3Si is the first HF superconductor that reveals a peak in 1/T(1) just below T(c) and, additionally, does not follow the T3 law that used to be reported for most unconventional HF superconductors. We remark that this unexpected SC characteristic may be related to the lack of an inversion center in its crystal structure.

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By investigations of phase relations in the alloy system Ba-Pt-Si at 900°C we observe the formation of the compound BaPtSi 3 , which crystallizes in the noncentrosymmetric BaNiSn 3 structure type. Its space group is I4mm with the tetragonal lattice parameters a = 0.44094͑2͒nm and c = 1.0013͑2͒nm for the arc-melted compound annealed at 900°C. The characterization of the physical properties of BaPtSi 3 reveals a superconducting transition at 2.25 K with an upper critical field at T =0 K of Ϸ0.05 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.

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Tetrahedrite compounds Cu(12-x)Mn(x)Sb4S13 (0 ≤x≤ 1.8) were prepared by solid state synthesis. A detailed crystal structure analysis of Cu10.6Mn1.4Sb4S13 was performed by single crystal X-ray diffraction (XRD) at 100, 200 and 300 K confirming the noncentrosymmetric structure (space group I4[combining macron]3m) of a tetrahedrite. The large atomic displacement parameter of the Cu2 atoms was described by splitting the 12e site into a partially and randomly occupied 24g site (Cu22) in addition to the regular 12e site (Cu21), suggesting a mix of dynamic and static off-plane Cu2 atom disorder. Rietveld powder XRD pattern and electron probe microanalysis revealed that all the Mn substituted samples showed a single tetrahedrite phase. The electrical resistivity increased with increasing Mn due to substitution of Mn(2+) at the Cu(1+) site. The positive Seebeck coefficient for all samples indicates that the dominant carriers are holes. Even though the thermal conductivity decreased as a function of increasing Mn, the thermoelectric figure of merit ZT decreased, because the decrease of the power factor is stronger than the decrease of the thermal conductivity. The maximum ZT = 0.76 at 623 K is obtained for Cu12Sb4S13. The coefficient of thermal expansion 13.5 ± 0.1 × 10(-6) K(-1) is obtained in the temperature range from 460 K to 670 K for Cu10.2Mn1.8Sb4S13. The Debye temperature, Θ(D) = 244 K for Cu10.2Mn1.8Sb4S13, was estimated from an evaluation of the elastic properties. The effective paramagnetic moment 7.45 μB/f.u. for Cu10.2Mn1.8Sb4S13 is fairly consistent with a high spin 3d(5) ground state of Mn.