Characterization of M–O bonds in Y2Ti2O7 and Y2TiO5 with EELS. Issue 1 (19th August 2014)

• Record Type: Journal Article
• Authors: Jegadeesan, P.; Amirthapandian, S.; Kaur, Gurpreet; Chandra, Sharat; Panigrahi, B.K.
• Is Part Of: Physica status solidi. Volume 252:Issue 1(2015:Jan.)
• Page Start: 206
• Page End: 211
• Publication Date: 2014-08-19
• Subjects: Solid state physics -- Periodicals; Solids -- Periodicals; Atomic structure -- Periodicals; 530.41
• DOI: 10.1002/pssb.201451297
• Languages: English
• ISSNs: 0370-1972

Abstract

<abstract abstract-type="main"> <title> <x xml:space="preserve">Abstract</x> </title> <sec id="pssb201451297-sec-0001" sec-type="section"> <p>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.</p> </sec> </abstract>