Single-crystalline SnSe has attracted much attention because of its record high figure-of-merit ZT ≈ 2.6; however, this high ZT has been associated with the low mass density of samples which leaves the intrinsic ZT of fully dense pristine SnSe in question. To this end, we prepared high-quality fully dense SnSe single crystals and performed detailed structural, electrical, and thermal transport measurements over a wide temperature range along the major crystallographic directions. Our single crystals were fully dense and of high purity as confirmed via high statistics 119 Sn Mössbauer spectroscopy that revealed <0.35 at. % Sn(IV) in pristine SnSe. The temperature-dependent heat capacity ( C p ) provided evidence for the displacive second-order phase transition from Pnma to Cmcm phase at T c ≈ 800 K and a small but finite Sommerfeld coefficient γ 0 which implied the presence of a finite Fermi surface. Interestingly, despite its strongly temperature-dependent band gap inferred from density functional theory calculations, SnSe behaves like a low-carrier-concentration multiband metal below 600 K, above which it exhibits a semiconducting behavior. Notably, our high-quality single-crystalline SnSe exhibits a thermoelectric figure-of-merit ZT ∼1.0, ∼0.8, and ∼0.25 at 850 K along the b , c , and a directions, respectively.

Magnetic properties of fully oxygenated bare CuO nanoparticles have been investigated using magnetization, X-ray diffraction, neutron diffraction, and Raman scattering measurements. The Langevin field profile is clearly revealed in the isothermal magnetization of 8.8 nm CuO nanoparticle assembly even at 300 K, revealing a 172 times enhancement of the ferromagnetic responses over that of bulk CuO. Surface magnetization of 8.8 nm CuO reaches 18% of the core magnetization. The Cu spins in 8.8 nm CuO order below 400 K, which is 1.7 times higher than the 231 K observed in bulk CuO. A relatively simple magnetic structure that may be indexed using a modulation vector of (0.2, 0, 0.2) was found for the 8.8 nm CuO, but no magnetic incommensurability was observed in bulk CuO. The Cu spins in 8.8 nm CuO form spin density waves with length scales of 5 chemical unit cells long along the crystallographic a- and c-axis directions. Considerable amounts of electronic charge shift from around the Cu lattice sites toward the interconnecting regions of two neighboring Cu–Cu ions, resulting in a stronger ferromagnetic direct exchange interaction for the neighboring Cu spins in 8.8 nm CuO.

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Polarized and unpolarized neutron diffractions have been carried out to investigate the nature of the magnetic structures and transitions in monoclinic Co3TeO6. As the temperature is lowered below 26 K long range order develops, which is fully incommensurate (ICM) in all three crystallographic directions. Below 19.5 K additional commensurate magnetic peaks develop, consistent with the Γ4 irreducible representation, along with a splitting of the ICM peaks along the h direction which indicates that there are two separate sets of magnetic modulation vectors. Below 18 K, this small additional magnetic incommensurability disappears, ferroelectricity develops, an additional commensurate magnetic structure consistent with Γ3 irreducible representation appears, and the k component of the ICM wave vector disappears. Synchrotron x-ray diffraction measurements demonstrate that there is a significant shift of the electronic charge distribution from the Te ions at the crystallographic 8 f sites to the neighboring Co and O ions. These results, together with the unusually small electric polarization, its strong magnetic field dependence, and the negative thermal expansion in all three lattice parameters, suggest this material is an antiferroelectric. Below15 K the k component of the ICM structure reappears, along with second-order ICM Bragg peaks, which polarized neutron data demonstrate are magnetic in origin.