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Characterization of M–O bonds in Y 2 Ti 2 O 7 and Y 2 TiO 5 with EELS
Author(s) -
Jegadeesan P.,
Amirthapandian S.,
Kaur Gurpreet,
Chandra Sharat,
Panigrahi B.K.
Publication year - 2015
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201451297
Subject(s) - ionic bonding , atomic orbital , k edge , covalent bond , crystal field theory , electron energy loss spectroscopy , metal , density functional theory , crystallography , materials science , oxygen , chemical bond , spectroscopy , electronic structure , atomic physics , chemistry , electron , computational chemistry , spectral line , ion , nanotechnology , physics , transmission electron microscopy , organic chemistry , quantum mechanics , astronomy , metallurgy
The nature of metal–oxygen (M–O) bonds in Y 2 Ti 2 O 7 and Y 2 TiO 5 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 (Y 2 Ti 2 O 7 and Y 2 TiO 5 ), 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 Y 2 TiO 5 which implies that the metal–oxygen (M–O) bonds are highly ionic in nature. The calculated electronic charge densities confirm our experimental observation.