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000135215 037__ $$aFZJ-2013-03175
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000135215 1001_ $$0P:(DE-HGF)0$$aSagarna, L.$$b0$$eCorresponding author
000135215 245__ $$aStructure and thermoelectric properties of EuTi(O,N)3 ± δ
000135215 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2013
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000135215 520__ $$aAfter 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.
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000135215 7001_ $$0P:(DE-Juel1)VDB103228$$aRushchanskii, K. Z.$$b1
000135215 7001_ $$0P:(DE-HGF)0$$aMaegli, A.$$b2
000135215 7001_ $$0P:(DE-Juel1)VDB88648$$aYoon, S.$$b3
000135215 7001_ $$0P:(DE-HGF)0$$aPopuloh, S.$$b4
000135215 7001_ $$0P:(DE-Juel1)145072$$aShkabko, A.$$b5$$ufzj
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000135215 7001_ $$0P:(DE-Juel1)130799$$aLežaić, M.$$b7$$ufzj
000135215 7001_ $$0P:(DE-Juel1)131022$$aWaser, R.$$b8$$ufzj
000135215 7001_ $$0P:(DE-Juel1)VDB85462$$aWeidenkaff, A.$$b9
000135215 773__ $$0PERI:(DE-600)1476463-5$$a10.1063/1.4813098$$gVol. 114, no. 3, p. 033701 -$$n3$$p033701 -$$tJournal of applied physics$$v114$$x0021-8979$$y2013
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