Antiferrodistortive phase transition in EuTiO3

X-ray diffraction, dynamical mechanical analysis and infrared reflectivity studies revealed an antiferrodistortive phase transition in EuTiO3 ceramics. Near 300K the perovskite structure changes from cubic Pm-3m to tetragonal I4/mcm due to antiphase tilting of oxygen octahedra along the c axis (a0a0c- in Glazer notation). The phase transition is analogous to SrTiO3. However, some ceramics as well as single crystals of EuTiO3 show different infrared reflectivity spectra bringing evidence of a different crystal structure. In such samples electron diffraction revealed an incommensurate tetragonal structure with modulation wavevector q ~ 0.38 a*. Extra phonons in samples with modulated structure are activated in the IR spectra due to folding of the Brillouin zone. We propose that defects like Eu3+ and oxygen vacancies strongly influence the temperature of the phase transition to antiferrodistortive phase as well as the tendency to incommensurate modulation in EuTiO3.Comment: PRB, in pres

Optimised Realistic Test Input Generation Using Web Services

Abstract. We introduce a multi-objective formulation of service-oriented testing, focusing on the balance between service price and reliability. We experimented with NSGA2 for this problem, investigating the effect on performance and quality of composition size, topology and the number of services discovered. For topologies small enough for exhaustive search we found that NSGA2 finds a pareto front very near (the fronts are a Euclidean distance of ∼ 0.00024 price-reliability points apart) the true pareto front. Regarding performance, we find that composition size has the strongest effect, with smaller topologies consuming more machine time; a curious effect we believe is due to the influence of crowding dis-tance. Regarding result quality, our results reveal that size and topology have more effect on the front found than the number of service choices discovered. As expected the cost-reliability relationship (logarithmic, lin-ear, exponential) is replicated in the front discovered when correlation is high, but as the price-reliability correlation decreases, we find fewer solutions on the front and the front becomes less smooth.

Structure and thermoelectric properties of EuTi(O,N)3 ± δ

After partial substitution of nitrogen for oxygen in EuTiO3, the crystal structure, thermoelectric properties, morphology, and electronic structure of the products were analyzed and compared with pristine EuTiO3. The space group of EuTi(O,N)3 ±  δ was orthorhombic Pnma due to the tilt and rotation of the anion octahedra, compared to cubic Pm3¯m of EuTiO3 (at room temperature). The thermoelectric properties of oxynitride polycrystalline bodies sintered in three different ways were investigated in the temperature range of 300 K < T < 950 K. The Seebeck coefficients (S) of the oxynitrides were lower compared with the oxide, and the electrical resistivities (ρ) were increased about one order of magnitude. The activation energies (E A) indicated a larger band gap of EuTi(O,N)3 ±  δ when compared to the pristine EuTiO3 (∼1.3 eV compared to 0.98 eV). A morphological characterization by transmission electron microscopy and scanning electron microscopy illustrated intrinsic nanopores within the individual particles and weak grain-interconnections indicating poor intergrain electron transport. Ab initio calculations of the electronic structures confirmed a larger band gap of the distorted crystal structure of the oxynitride and showed a decrease of the density of states at the Fermi level, explaining the reduction of the measured S