Hydrogen site occupancy and strength of forces in nano-sized metal hydrides

The dipole force components in nano-sized metal hydrides are quantitatively determined with curvature and x-ray diffraction measurements. Ab-initio density functional theory is used to calculate the dipole components and the symmetry of the strain field. The hydrogen occupancy in a 100 nm thick V film is shown to be tetrahedral with a slight asymmetry at low concentration and a transition to octahedral occupancy is shown to take place at around 0.07 [H/V] at 360 K. When the thickness of the V layer is reduced to 3 nm and biaxially strained, in a Fe_0.5V_0.5/V superlattice, the hydrogen unequivocally occupies octahedral z-like sites, even at and below concentrations of 0.02 [H/V]

Mg/Ti multilayers: structural, optical and hydrogen absorption properties

Mg-Ti alloys have uncommon optical and hydrogen absorbing properties, originating from a "spinodal-like" microstructure with a small degree of chemical short-range order in the atoms distribution. In the present study we artificially engineer short-range order by depositing Pd-capped Mg/Ti multilayers with different periodicities and characterize them both structurally and optically. Notwithstanding the large lattice parameter mismatch between Mg and Ti, the as-deposited metallic multilayers show good structural coherence. Upon exposure to H2 gas a two-step hydrogenation process occurs, with the Ti layers forming the hydride before Mg. From in-situ measurements of the bilayer thickness L at different hydrogen pressures, we observe large out-of-plane expansions of the Mg and Ti layers upon hydrogenation, indicating strong plastic deformations in the films and a consequent shortening of the coherence length. Upon unloading at room temperature in air, hydrogen atoms remain trapped in the Ti layers due to kinetic constraints. Such loading/unloading sequence can be explained in terms of the different thermodynamic properties of hydrogen in Mg and Ti, as shown by diffusion calculations on a model multilayered systems. Absorption isotherms measured by hydrogenography can be interpreted as a result of the elastic clamping arising from strongly bonded Mg/Pd and broken Mg/Ti interfaces

Observation by resonant angle-resolved photoemission of a critical thickness for 2-dimensional electron gas formation in SrTiO3_3 embedded in GdTiO3_3

For certain conditions of layer thickness, the interface between GdTiO$_3$ (GTO) and SrTiO$_3$ (STO) in multilayer samples has been found to form a two-dimensional electron gas (2DEG) with very interesting properties including high mobilities and ferromagnetism. We have here studied two trilayer samples of the form [2 nm GTO/1.0 or 1.5 unit cells STO/10 nm GTO] as grown on (001) (LaAlO$_3$)$_{0.3}$(Sr$_2$AlTaO$_6$)$_{0.7}$ (LSAT), with the STO layer thicknesses being at what has been suggested is the critical thickness for 2DEG formation. We have studied these with Ti-resonant angle-resolved (ARPES) and angle-integrated photoemission and find that the spectral feature in the spectra associated with the 2DEG is present in the 1.5 unit cell sample, but not in the 1.0 unit cell sample. We also observe through core-level spectra additional states in Ti and Sr, with the strength of a low-binding-energy state for Sr being associated with the appearance of the 2DEG, and we suggest it to have an origin in final-state core-hole screening.Comment: 12 pages, 4 figure

The hyperfine properties of a hydrogenated Fe/V superlattice

: We study the effect of hydrogen on the electronic, magnetic and hyperfine structures of an iron-vanadium superlattice consisting of three Fe monolayers and nine V monolayers. The contact charge density ({\rho}), the contact hyperfine field (Bhf) and the electronic field gradient (EFG) at the Fe sites for different H locations and H fillings are calculated using the first principle full-potential linear-augmented-plane-wave (FP-LAPW) method . It is found that sizeable changes in the hyperfine properties are obtained only when H is in the interface region.Comment: 6 pages, 2 figures, 3 tables, ICAME 2011 conference (Kobe, Japan

Depth-Resolved Composition and Electronic Structure of Buried Layers and Interfaces in a LaNiO3_3/SrTiO3_3 Superlattice from Soft- and Hard- X-ray Standing-Wave Angle-Resolved Photoemission

LaNiO$_3$ (LNO) is an intriguing member of the rare-earth nickelates in exhibiting a metal-insulator transition for a critical film thickness of about 4 unit cells [Son et al., Appl. Phys. Lett. 96, 062114 (2010)]; however, such thin films also show a transition to a metallic state in superlattices with SrTiO$_3$ (STO) [Son et al., Appl. Phys. Lett. 97, 202109 (2010)]. In order to better understand this transition, we have studied a strained LNO/STO superlattice with 10 repeats of [4 unit-cell LNO/3 unit-cell STO] grown on an (LaAlO$_3$)$_{0.3}$(Sr$_2$AlTaO$_6$)$_{0.7}$ substrate using soft x-ray standing-wave-excited angle-resolved photoemission (SWARPES), together with soft- and hard- x-ray photoemission measurements of core levels and densities-of-states valence spectra. The experimental results are compared with state-of-the-art density functional theory (DFT) calculations of band structures and densities of states. Using core-level rocking curves and x-ray optical modeling to assess the position of the standing wave, SWARPES measurements are carried out for various incidence angles and used to determine interface-specific changes in momentum-resolved electronic structure. We further show that the momentum-resolved behavior of the Ni 3d eg and t2g states near the Fermi level, as well as those at the bottom of the valence bands, is very similar to recently published SWARPES results for a related La$_{0.7}$Sr$_{0.3}$MnO$_3$/SrTiO$_3$ superlattice that was studied using the same technique (Gray et al., Europhysics Letters 104, 17004 (2013)), which further validates this experimental approach and our conclusions. Our conclusions are also supported in several ways by comparison to DFT calculations for the parent materials and the superlattice, including layer-resolved density-of-states results

General Formula for the Thermoelectric Transport Phenomena based on the Fermi Liquid Theory: Thermopower, Nernst Coefficient, and Thermal Conductivity

On the basis of the linear response transport theory, the general expressions for the thermoelectric transport coefficients, such as thermoelectric power (S), Nernst coefficient (\nu), and thermal conductivity (\kappa), are derived by using the Fermi liquid theory. The obtained expression is exact as for the most singular term in terms of 1/\gamma_k^* (\gamma_k^* being the quasiparticle damping rate). We utilize the Ward identities for the heat current which is derived by the local energy conservation law. Based on the derived expressions, we can calculate various thermoelectric transport coefficients within the framework of the Baym-Kadanoff type conserving approximation. Thus, the present expressions are very useful for studying the strongly correlated electrons such as high-Tc superconductors, organic metals, and heavy Fermion systems, where the current vertex corrections are expected to play important roles. By using the derived expression, we calculate the thermal conductivity \kappa in a free-dispersion model up to the second-order with respect to U. We find that it is slightly enhanced due to the vertex correction for the heat current, although the vertex correction for electron current makes the conductivity (\sigma) of this system diverge, reflecting the absence of the Umklapp process.Comment: 22 pages, 11 figures; accepted for publication in PR

Radiographic closure time of appendicular growth plates in the Icelandic horse

<p>Abstract</p> <p>Background</p> <p>The Icelandic horse is a pristine breed of horse which has a pure gene pool established more than a thousand years ago, and is approximately the same size as living and extinct wild breeds of horses. This study was performed to compare the length of the skeletal growth period of the "primitive" Icelandic horse relative to that reported for large horse breeds developed over the recent centuries. This information would provide practical guidance to owners and veterinarians as to when the skeleton is mature enough to commence training, and would be potentially interesting to those scientists investigating the pathogenesis of osteochondrosis. Interestingly, osteochondrosis has not been documented in the Icelandic horse.</p> <p>Methods</p> <p>The radiographic closure time of the appendicular growth plates was studied in 64 young Icelandic horses. The results were compared with previously published closure times reported for other, larger horse breeds. The radiographs were also examined for any signs of developmental orthopaedic diseases. In order to describe further the growth pattern of the Icelandic horse, the total serum alkaline phosphatase (ALP) activity was determined and the height at the withers was measured.</p> <p>Results</p> <p>Most of the examined growth plates were fully closed at the age of approximately three years. The horses reached adult height at this age; however ALP activity was still mildly increased over baseline values. The growth plates in the digits were the first to close at 8.1 to 8.5 months of age, and those in the regions of the distal radius (27.4 to 32.0 months), tuber olecrani (31.5 to 32.2 months), and the stifle (27.0 to 40.1 months) were the last to close. No horse was found to have osteochondrosis type lesions in the neighbouring joints of the evaluated growth plates.</p> <p>Conclusion</p> <p>The Icelandic horse appears to have similar radiographic closure times for most of the growth plates of its limbs as reported for large new breeds of horses developed during the past few centuries. It thus appears that different breeding goals and the intensity of breeding have not altered the length of the growth period in horses. Instead, it can be assumed that the pristine and relatively small Icelandic horse has a slower rate of growth. The appendicular skeleton of Icelandic horses has completed its bone growth in length at approximately 3 years of age, and therefore may be able to enter training at this time.</p