Materials Literature
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The results of X-ray diffraction, complex in-field (up to 9 T) and temperature (5-300 K) Moessbauer and magnetometric studies of the ordered Fe_{65}Al_{35-x}M_x (M=Ga, B; x=0,5,10) and Fe_{65-x}V_xAl_{35} (x=5,10) alloys are presented. Analysis of the magnetometry studies shows that the systems Fe_{65}Al_{35} and Fe_{…
We demonstrated experimentally a direct way to probe a hidden propensity to the formation of a spin-density wave in a nonmagnetic metal with strong Fermi surface nesting. Substituting Fe for a tiny amount of Cu (1%) induced an incommensurate magnetic order below 20 K in heavily overdoped La(2-x)Sr(x)CuO(4). Elastic ne…
Atomically flat, epitaxial, and stoichiometric thin films of the electronically phase separated compound (La$_{0.5}$Pr$_{0.5}$)$_{0.67}$Ca$_{0.33}$MnO$_{3}$ were grown on as-received and treated NdGaO$_{3}$ substrates by fine tuning of oxygen pressure during deposition. Optimal thin films with step flow growth mode sh…
Density functional theory (DFT) has been used to estimate vacancy formation enthalpy (H_fv) for a few transition metals like nickel (Ni) and copper (Cu). It is shown that, for these metals, H_fv is underestimated considerably by DFT. The aim of the present work is to bridge the gap between the estimates made by DFT ca…
Ferroelectric-like hysteresis loops of CaCu3Ti4O12 (CCTO) ceramic have been observed. We found that this unusual feature does not arise from the displacement of the Ti ions in the TiO6 octahedron, but apparently comes from the charges at the grain boundaries which consist of a CuO layer. The relaxation time of 2.9 mil…
Metallocenes can be encapsulated inside the carbon nanotubes. The structural, energetic and electronic properties of organometallic MCp2@SWCNT are obtained from DFT method. We verify that such encapsulation is noncovalent functionalization, and examined binding energies and charge transfers of MCp2@(16,0)SWCNT systems…
BiFeO 3 multiferroic ceramics were modified by introducing CaTiO 3 . The stability of perovskite BiFeO 3 was increased by the present modification, and the single‐phase ( Bi 1 − x Ca x )( Fe 1 − x Ti x ) O 3 solid solutions were obtained when x ≥ 0.15, where the symmetry changed from R 3 c ( x ≤ 0.2) to Pbnm ( x ≥ 0.3…
Soda stream: Sodium bicarbonate was cyclically hydrogenated in aqueous solution to sodium formate at 100 bar H2 in the presence of a RuII–sulfonated phosphine catalyst. The system functions as a true charge/discharge device for storage and delivery of hydrogen without the need for isolation of either formate or bicarb…
We investigate the electronic and structural properties of CuO, which shows significant deviations from the trends obeyed by other transition-metal monoxides. Using an extended Hubbard-based corrective functional, we uncover an orbitally ordered insulating ground state for the cubic phase of this material, which was e…
In recent years, graphene has become a prevailing topic in the materials community. Numerous applications of graphene have been generated, including gas sensors, photovoltaics, field-effect transistors, etc. In this paper, we demonstrate that graphene sheets could serve as a desirable inorganic constituent in construc…
In-depth probing of the surface electronic structure on solid oxide fuel cell (SOFC) cathodes, considering the effects of high temperature, oxygen pressure, and material strain state, is essential toward advancing our understanding of the oxygen reduction activity on them. Here, we report the surface structure, chemic…
A one-step solvothermal method was used to prepare TiO(2)/halloysite composites. TiO(2) nanoparticles were deposited on the platform of the halloysite nanotubes (HNTs). XRD, FT-IR, FE-SEM, and TEM were applied to investigate the structures and morphologies of the resultant samples. The as-prepared TiO(2)/HNTs photocat…
Abstract Advances in semiconductor device during last few decades enable us to improve the electronic device performance by minimizing the device dimension. However, further development of these systems encounters scientific and technological limits and forces us to explore better alternatives. Low‐dimensional carbon…
Local conduction at domains and domain walls is investigated in BiFeO(3) thin films containing mostly 71° domain walls. Measurements at room temperature reveal conduction through 71° domain walls. Conduction through domains could also be observed at high enough temperatures. It is found that, despite the lower conduct…
Clear sight: The upconversion emission spectra of KMnF3 nanocrystals co-doped with Yb/Er (18:2 mol %; see picture) and Yb/Ho (18:2 mol %) reveal strong single-band emissions. The application of this pure, single-band emission for deep-tissue imaging is demonstrated.
In this paper the phonon self-energy produced by anharmonicity is calculated using second-order many-body perturbation theory for all bcc, fcc, and hcp transition metals. The symmetry properties of the phonon interactions are used to obtain an expression for the self-energy as a sum over irreducible triplets, very sim…
a grafitização do carbono amorfo parece ser uma condição necessária para disparar a supercondutividade.
Esta investigacion consiste en estudiar las relaciones existentes entre la micro-estructura, propiedades y las condiciones del procesado de los materiales compuestos a partir de polipropileno y carbonato de calcio con el fin de mejorar sus propiedades mecanicas. Este estudio presenta una alternativa al uso del carbona…
Los tubos de presión de las centrales nucleares tipo CANDU constituyen, en la zona del núcleo del reactor, la superficie límite de presión del Sistema Primario de Transporte de Calor. El refrigerante que circula por su interior es agua pesada, debido a la acción del flujo neutrónico se hidroliza produciendo deuterio q…
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