The volumetric hydrogen density of 160 kg H/m3 in TiVCrNbH8 is among the highest for interstitial hydrides, but reported reversible capacity only about 2/3 full theoretical at room temperature. In present work we have investigated local structure TiVCrNbDx, x=0, 2.2, 8 with aim to unravel how remaining sites can be destabilized respect hydrogen/deuterium occupation using total scattering measurements and Reverse Monte Carlo (RMC) modelling. Our analysis indicates that partially desorbed...

Abstract As traditional silicon technology is moving fast towards its fundamental limits, all-oxide electronics emerging as a challenger offering principally different electronic behavior and switching mechanisms. This can be utilized to fabricate devices with enhanced exotic functionality. One of the challenges for integration complex oxides in availability appreciable low-temperature synthesis routes. Herein we provide extension materials toolbox oxide by reporting facile route deposition...

The recently upgraded DMC diffractometer at SINQ, equipped with a state-of-the-art 2D He detector, enables high-resolution neutron diffraction experiments optimized for both powder and single-crystal studies. To address the increased complexity volume of data produced by this instrument, we developed DMCPy, Python-based software package tailored specifically analysis. DMCPy facilitates seamless reduction visualization, supporting conversion to reciprocal space, normalization, masking...

Although magnetic frustration in metals provides a promising avenue for novel quantum phenomena, their microscopic interpretation is often challenging. Here we use the face-centered cubic intermetallic HoInCu$_4$ as model material to show that Hamiltonians neglecting charge degree of freedom are appropriate frustrated possessing low density states at Fermi surface. Through neutron scattering techniques determine matching exchange interactions paramagnetic and field-polarized using an...

Simultaneous breaking of time reversal and inversion symmetries in multiferroics couples ferroelectricity to magnetism is a source unusual physical phenomena that can be used next-generation electronic devices. A notable example DyFeO$_3$, which under applied magnetic fields exhibits giant linear magnetoelectric response large spontaneous electric polarization induced by coexisting orders Fe Dy spins. Here, we use high-resolution neutron diffraction show at zero field DyFeO$_3$ hosts an...

A new platinate was recently discovered when Nd2O3 explored as a platinum capture material in the Ostwald process, formed by direct reaction between gaseous PtO2 and Nd2O3. The crystal structure of this its composition, Nd10.67Pt4O24, are here reported for first time. compound is synthesized either PtO2(g) or citric acid chemical route. Based on 3-dimensional electron diffraction data Rietveld refinement high-resolution synchrotron neutron powder data, we describe space group I41/a....

Hydride anion-conducting oxyhydrides have recently emerged as a brand new class of ionic conductors. Here we shed first light onto their local vibrations, bonding mechanisms, and anion migration properties using the powerful combination high-resolution inelastic neutron scattering set rigorously experimentally validated density functional theory calculations. By means charge-density analysis establish to be strongly anisotropic; in perovskite layer covalent rock salt layer. Climbing nudged...

Nickelates, just like their isoelectronic cousins (the cuprate superconductors), are candidates for high temperature superconductivity. As charge density waves (CDW) and superconductivity might share a similar microscopic origin that CDW behaviour is earlier suggested La4Ni3O10, we here provide detailed physical characterization of the magnetic, electronic thermodynamic properties stoichiometric polycrystalline La4Ni3O10 at below 300 K. By variable temperature, synchrotron powder X-ray...

Insight into the crystallization process of functional materials deposited as thin films in an amorphous state is essential when phase pure samples specific polymorphs are sought for utilization performance aspects or fundamental studies. In this work, we report on controlled α- and β-MoO3 from MoO3 produced by atomic layer deposition (ALD). The deposited. Our experiments show that starts to crystallize at a surprisingly low temperature 185 °C, only 20 °C above adopted ALD temperature. Thin...

Mixed oxide hydride anion systems constitute a novel class of materials exhibiting intriguing properties such as solid-state ion conduction and fast exchange. In this contribution we derive the kinetics transport in mixed oxide-hydride system, SrTiO3- xH x, through isotope exchange depth profiling. Density functional theory (DFT) calculations indicate that migration H- to neighboring vacant oxygen lattice sites is fast, but long-range impeded by slow reorganization sublattice. From measured...

The control of magnetization using electric fields has been extensively studied in magnetoelectric multiferroic insulating materials while changes bulk metals caused by currents have attracted less attention. recently discovered metallic magnet ${\mathrm{Ce}}_{3}{\mathrm{TiBi}}_{5}$ reported to exhibit current-induced magnetization. Here we determined the magnetic structure neutron diffraction, aiming understand microscopic origin this phenomenon a metal. We established that...

Oxyhydrides, in which oxide and hydride anions share the same anionic lattice, are relatively rare compounds. La2LiHO3 belongs to this family. We report synthesis of by means an alkali halide flux method, allows production larger quantities material relative usually adopted routes. Powder X-ray neutron diffraction studies show that adopts n = 1 Ruddlesden-Popper (RP)-type structure with orthorhombic distortion (Immm) due anion ordering. No sign polymorphism is observed. seen decompose oxygen...

Orthoferrites are a class of magnetic materials with ordering temperature above 600 K, predominant $G$-type antiferromagnetic the Fe-spin system and, depending on rare-earth ion, spin reorientation Fe taking place at lower temperatures. ${\mathrm{DyFeO}}_{3}$ is particular interest since classified as Morin transition strongly Dy-Fe interaction. Here, we report detailed study and structural properties microcrystalline powder bulk single crystal using neutron diffraction magnetometry between...

Thin films of YVO₄:Yb³⁺ exhibiting intense NIR emission have been deposited by atomic layer deposition. The is attributed to a quantum splitting process that could be used enhance the efficiency solar cells.

5D operando total scattering computed tomography reveals the mechanism of a lithium ion battery electrode which operates by both alloying and conversion reactions, at atomic microscopic scale.

Epitaxial Cu2O films grown by reactive and ceramic radio frequency magnetron sputtering on single crystalline ZnO (0001) substrates are investigated. The both O- Zn-polar surface of the substrates. exhibit a columnar growth manner apart from ∼5 nm thick CuO interfacial layer. In comparison to reactively sputtered Cu2O, ceramic-sputtered less strained appear contain nanovoids. Irrespective polarity, is observed have (111)Cu2O||(0001)ZnO epitaxial relationship, but in case found show...

Large quantities of high-purity NH4CrF3 have been synthesized using a wet-chemical method, and its structural chemistry magnetic properties are investigated in detail for the first time. is tetragonal fluoroperovskite that displays an ordering ammonium (NH4+) groups at room temperature C-type orbital ordering. The order display distinct signs hydrogen bonds to nearby fluoride anions by buckling Cr–F–Cr angle away from 180°. remains up 405 K, much higher than other fluoroperovskites,...

Abstract Kobayashi et al (6279) (Science 2016 , 351) reported recently the existence of pure H - conductivity in oxyhydride La 2− x − y Sr + LiH 1− O 3− while demonstrating its functionality through a prototype solid-state Ti/La 2 LiHO 3 /TiH battery. In this study, we probe atomistic motion obtained by promising halide salt flux method, via combination deep inelastic neutron scattering (DINS) and ab initio lattice dynamics (LD) calculations verified vibrational spectroscopy (INS). We...

We report on the structural and magnetic properties of elusive Jahn-Teller active compound ${\mathrm{NaCrF}}_{3}$, for first time synthesized in large quantities allowing detailed characterization. The crystal structure ${\mathrm{NaCrF}}_{3}$ is initially described from a DFT model, which helped serve as basis indexing determination confirmed by high-resolution synchrotron x-ray diffraction experiments. adopts triclinic space group $P\overline{1}$ (isostructural with ${\mathrm{NaCuF}}_{3}$)....

Two distinguishable plasma modes in the O2–N2 radio frequency capacitively coupled (CCP) used remote plasma-enhanced atomic layer deposition (PEALD) were observed. Optical emission spectroscopy and spectra interpretation with rate coefficient analysis of relevant processes to connect detected α γ CCP discharge. To investigate effect on PEALD film growth, ZnO TiO2 films deposited using both compared direct plasma. The growth rate, thickness uniformity, elemental composition, crystallinity...

The LiCl salt flux method is an established aid in oxyhydride synthesis. By operating the below its melting point, we have obtained phase pure Nd2LiHO3 for first time. Further, suitability of shown to be dictated by a delicate balance between thermal stability question and ionic mobility reactants.

γ-MoO3 nanobelts prepared by hydrothermal synthesis were studied synchrotron radiation powder diffraction, scanning electron microscopy, transmission microscopy and selected area diffraction. Their nm dimensions, in particular two crystallographic directions, have a profound influence on electrochemical properties during cycling as the cathode material lithium-ion batteries (LIBs). The diffraction analysis shows clearly that crystal structure for differs significantly from of bulk α-MoO3....