403 research outputs found
Thermoelectric performance of multiphase XNiSn (X = Ti, Zr, Hf) half-Heusler alloys
Quantitative X-ray powder diffraction analysis demonstrates that mixing Ti, Zr and Hf on the ionic site in the half-Heusler structure, which is a common strategy to lower the lattice thermal conductivity in this important class of thermoelectric materials, leads to multiphase behaviour. For example, nominal Ti0.5Zr0.5NiSn has a distribution of Ti1−xZrxNiSn compositions between 0.24 ≤ x ≤ 0.70. Similar variations are observed for Zr0.50Hf0.5NiSn and Ti0.5Hf0.5NiSn. Electron microscopy and elemental mapping demonstrate that the main compositional variations occur over micrometre length scales. The thermoelectric power factors of the mixed phase samples are improved compared to the single phase end-members (e.g. S2/ρ = 1.8 mW m−1 K−2 for Ti0.5Zr0.5NiSn, compared to S2/ρ = 1.5 mW m−1 K−2 for TiNiSn), demonstrating that the multiphase behaviour is not detrimental to electronic transport. Thermal conductivity measurements for Ti0.5Zr0.5NiSn0.95 suggest that the dominant reduction comes from Ti/Zr mass and size difference phonon scattering with the multiphase behaviour a secondary effect
Metal Distributions, Efficient n-Type Doping, and Evidence for in-Gap States in TiNiM<sub><i>y</i></sub>Sn (M = Co, Ni, Cu) half-Heusler Nanocomposites
XNi1+ySn nanocomposites consisting of a XNiSn half-Heusler (HH) matrix with segregated XNi2Sn Full Heusler (FH) inclusions promise improvements in thermoelectric efficiencies. We extend recent research by reporting on TiNiMySn (0 ≤ y ≤ 1) nanocomposites with M = Co (3d9), Ni (3d10) and Cu (3d104s1). Neutron powder diffraction reveals that the Ni and Cu series produce a matrix of TiNiSn with nanosegregated TiNi2Sn and TiNi1+dCu1–dSn, respectively. For the Co series, the Co inserts into both phases to obtain a TiNi1–yCoySn matrix with nanosegregated TiNi2–yCoySn. Systematic changes in Seebeck coefficient (S) and electrical resistivity (ρ) are observed in all three series. For M = Ni, changes in S and ρ are attributed to in-gap states arising from the nanosegregation. The M = Co composites show a complex interplay between the hole doped TiNi1–yCoySn matrix and similar in-gap states, where the p- to n-type transition temperature increases but the maximum S remains unchanged at +30 μV K–1. The 4s1 electron for M = Cu is delocalized in the HH matrix, leading to metal-like ρ(T) and up to 100% improved thermoelectric power factors compared to TiNiSn (S2/ρ = 2 mW m–1 K–2 at 600–700 K for y = 0.025). These results broaden the range of segregated FH phases that could be used to enhance HH thermoelectric performance
Inelastic neutron scattering study of crystal field excitations of Nd<sup>3+</sup> in NdFeAsO
Inelastic neutron scattering experiments were performed to investigate the
crystalline electric field (CEF) excitations of Nd3+ (J = 9/2) in the iron
pnictide NdFeAsO. The crystal field level structures for both the
high-temperature paramagnetic phase and the low-temperature antiferromagnetic
phase of NdFeAsO are constructed. The variation of CEF excitations of Nd3+
reflects not only the change of local symmetry but also the change of magnetic
ordered state of the Fe sublattice. By analyzing the crystal field interaction
with a crystal field Hamiltonian, the crystal field parameters are obtained. It
was found that the sign of the fourth and sixth-order crystal field parameters
change upon the magnetic phase transition at 140 K, which may be due to the
variation of exchange interactions between the 4f and conduction electrons.Comment: 5 pages, 4 figure
Oxygen migration pathways in layered LnBaCo2O6-δ (Ln = La-Y) perovskites
Funding: Engineering and Physical Sciences Research Council - EP/L016419/1.Layered LnBaCo2O6-δ perovskites are important mixed ionic-electronic conductors, exhibiting outstanding catalytic properties for the oxygen evolution/reduction reaction. These phases exhibit considerable structural complexity, in particular, near room temperature, where a number of oxygen vacancy ordered superstructures are found. This study uses bond valence site energy calculations to demonstrate the key underlying structural features that favor facile ionic migration. BVSE calculations show that the 1D vacancy ordering for Ln = Sm–Tb could be beneficial at low temperatures as new pathways with reduced barriers emerge. By contrast, the 2D vacancy ordering for Ln = Dy and Y is not beneficial for ionic transport with the basic layered parent material having lower migration barriers. Overall, the key criterion for low migration barriers is an expanded ab plane, supported by Ba, coupled to a small Ln size. Hence, Ln = Y should be the best composition, but this is stymied by the low temperature 2D vacancy ordering and moderate temperature stability. The evolution of the oxygen cycling capability of these materials is also reported.Peer reviewe
Magnetic frustration in (La<em>A</em>)CoNbO<sub>6</sub> (<em>A</em>=Ca, Sr, and Ba) double perovskites
Superconductivity in NdFe1-xCoxAsO (0.05 < x < 0.20) and rare-earth magnetic ordering in NdCoAsO
The phase diagram of NdFe1-xCoxAsO for low cobalt substitution consists of a
superconducting dome (0.05 < x < 0.20) with a maximum critical temperature of
16.5(2) K for x = 0.12. The x = 1 end member, NdCoAsO, is an itinerant
ferromagnet (TC = 85 K) with an ordered moment of 0.30(1) BM at 15 K. Below TN
= 9 K, Nd spin-ordering results in the antiferromagnetic coupling of the
existing ferromagnetic planes. Rietveld analysis reveals that the
electronically important two-fold tetrahedral angle increases from 111.4 to
115.9 deg. in this series. Underdoped samples with x = 0.046(2) and x =
0.065(2) show distortions to the orthorhombic Cmma structure at 72(2) and 64(2)
K, respectively. The temperature dependences of the critical fields Hc2(T) near
Tc are linear with almost identical slopes of 2.3(1) T K-1 for x = 0.065(2), x
= 0.118(2) and x = 0.172(2). The estimated critical field Hc2(0) and
correlation length for optimally doped samples are 26(1) T and 36(1) Angstrom.
A comparison of the maximum reported critical temperatures of
well-characterized cobalt doped 122- and 1111-type superconductors is
presented.Comment: accepted to PR
Thermoelectric properties and high-temperature stability of the Ti<sub>1-x</sub>V<sub>x</sub>CoSb<sub>1-x</sub>Sn<sub>x</sub> half-Heusler alloys
The thermoelectric properties and high-temperature stability of the Ti1−xVxCoSb1−xSnx solid solution have been investigated.</p
Impact of Nb vacancies and p-type doping of the NbCoSn-NbCoSb half-Heusler thermoelectrics
Nb vacancies maintain a semiconducting electron count and cause strong mass fluctuation phonon scattering enabling good thermoelectric performance.</p
Phase stability and thermoelectric properties of TiCoSb-TiM<sub>2</sub>Sn (M = Ni, Fe) Heusler composites
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