Rapid deactivation presently limits a wide spread use of high-temperature solid oxide cells (SOCs) as otherwise highly efficient chemical energy converters. With triggered by the ongoing conversion reactions, an atomic-scale understanding active triple-phase boundary between electrolyte, electrode, and gas phase is essential to increase cell performance. Here, multi-method approach used compris...

The effects of tetragonal strain on the electronic and magnetic properties of strontium-doped lanthanum manganite, La(2/3)Sr(1/3)MnO(3) (LSMO), are investigated by means of density-functional methods. As far as the structural properties are concerned, the comparison between theory and experiments for LSMO strained on the most commonly used substrates shows an overall good agreement: the slight ...

The nuclear quadrupole resonance (NQR) spectrum of strontium doped La2CuO4 surprisingly resembles the NQR spectrum of La2CuO4 doped with excess oxygen, both spectra being dominated by a main peak and one principal satellite peak at similar frequencies. Using first-principles cluster calculations this is investigated here by calculating the electric field gradient (EFG) at the central copper sit...

The observation of a substitution-induced ferromagnetic order ~Tc5200 K! is reported in antiferromagnetic La0.9Sr0.1MnO3 ~TN5130 K! when 0.05 of La is replaced by yttrium. Important results of ferromagnetic resonance ~FMR! and high-pressure transport studies are as follows. ~i! Data on FMR linewidth and resistivity provide evidence for the presence of microscopic magnetic inhomogeneities, possi...

We investigate the ground state properties of electronic models for doped transition-metal oxides. An effective t J like Hamiltonian is derived from the case of strong Hund coupling between the conduction electrons and localized spins by means of the projection technique. An attractive interaction for conduction electrons and an antiferromagnetic coupling of the localized spin are obtained. A l...

Substitution of calcium for strontium in LnSr2-xCaxCu2GaO7 (Ln = La, Pr, Nd, Gd, Ho, Er, Tm, and Yb) materials at ambient pressure and 975 degrees C results in complete substitution of calcium for strontium in the lanthanum and praseodymium systems and partial substitution in the other lanthanide systems. The calcium saturation level depends on the size of the Ln cation, and in all cases, a dec...