Prediction of variation in d-orbital occupancy in strain induced tetragonal phase of BiFeO3 thin film

A theoretical study of the possible variation of d-orbital occupancy while going from the rhombohedral bulk phase to the strain induced tetragonal phase of BiFeO3 thin film has been carried out. A possible existence of an intermediate spin (IS) state, S=3/2 and a low spin (LS) state, S=1/2 in the te...

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Bibliographic Details
Main Authors: Manish Verma, Kanik Ram
Format: Article
Language:English
Published: AIP Publishing LLC 2016-05-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4948750