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- Title
Characterization of M-O bonds in Y<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub> and Y<sub>2</sub>TiO<sub>5</sub> with EELS.
- Authors
Jegadeesan, P.; Amirthapandian, S.; Kaur, Gurpreet; Chandra, Sharat; Panigrahi, B.K.
- Abstract
The nature of metal-oxygen (M-O) bonds in Y2Ti2O7 and Y2TiO5 is studied using electron energy loss spectroscopy (EELS) and density functional theory (DFT) calculations. The samples are synthesized by the conventional solid state reaction route and characterized with EELS. For both the oxides (Y2Ti2O7 and Y2TiO5), the crystal field splitting in Ti 3d orbital is manifested in the pre-edge features of the O K edge, which is an outcome of the covalent mixing of the metal 3d and oxygen 2p orbitals. Further, the intensities of pre-edge features are weak in Y2TiO5 which implies that the metal-oxygen (M-O) bonds are highly ionic in nature. The calculated electronic charge densities confirm our experimental observation.
- Subjects
OXIDES; DENSITY functional theory; ELECTRON energy loss spectroscopy; OXIDATION states; ELECTRONIC structure; X-ray diffraction
- Publication
Physica Status Solidi (B), 2015, Vol 252, Issue 1, p206
- ISSN
0370-1972
- Publication type
Article
- DOI
10.1002/pssb.201451297