Structural changes in thermoelectric SnSe at high pressures.

The crystal structure of the thermoelectric material tin selenide has been investigated with angle-dispersive synchrotron x-ray powder diffraction under hydrostatic pressure up to 27 GPa. With increasing pressure, a continuous evolution of the crystal structure from the GeS type to the higher-symmetry TlI type was observed, with a critical pressure of 10.5(3) GPa. The orthorhombic high-pressure modification, ß'-SnSe, is closely related to the pseudo-tetragonal high-temperature modification at ambient pressure. The similarity between the changes of the crystal structure at elevated temperatures and at high pressures suggests the possibility that strained thin films of SnSe may provide a route to overcoming the problem of the limited thermal stability of ß-SnSe at high temperatures.

Enhanced thermoelectric performance in TiNiSn-based half-Heuslers.

Thermoelectric figures of merit, ZT > 0.5, have been obtained in arc-melted TiNiSn-based ingots. This promising conversion efficiency is due to a low lattice thermal conductivity, which is attributed to excess nickel in the half-Heusler structure.

Iron spin-reorientation transition in NdFeAsO.

The low-temperature magnetic structure of NdFeAsO has been revisited using neutron powder diffraction and symmetry analysis using the Sarah representational analysis program. Four magnetic models with one magnetic variable for each of the Nd and Fe sublattices were tested. The best fit was obtained using a model with Fe moments pointing along the c-direction, and Nd moments along the a-direction. This signals a significant interplay between rare-earth and transition metal magnetism, which results in a spin-reorientation of the Fe sublattice upon ordering of the Nd moments. All models that fit the data well, including collinear models with more than one magnetic variable per sublattice, were found to have an Fe moment of 0.5 µ(B) and a Nd moment of 0.9 µ(B), demonstrating that the low-temperature Fe moment is not substantially enhanced compared to the spin-density wave state.

Valence bond glass on an fcc lattice in the double Perovskite Ba2YMoO6.

We report on the unconventional magnetism in the cubic B-site ordered double perovskite Ba2YMoO6, using ac and dc magnetic susceptibility, heat capacity and muon spin rotation. No magnetic order is observed down to 2 K while the Weiss temperature is approximately -160 K. This is ascribed to the geometric frustration in the lattice of edge-sharing tetrahedra with orbitally degenerate Mo5+ s=1/2 spins. Our experimental results point to a gradual freezing of the spins into a disordered pattern of spin singlets, quenching the orbital degeneracy while leaving the global cubic symmetry unaffected, and providing a rare example of a valence bond glass.