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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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
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author Manish Verma
Kanik Ram
author_facet Manish Verma
Kanik Ram
author_sort Manish Verma
collection DOAJ
description 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 tetragonal phase has been predicted, thereby clearly establishing the role of strain behind the d-orbital occupancy.
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spelling doaj.art-f0e047f5e3eb4fe2966ca2b8714dbb6a2022-12-22T01:51:19ZengAIP Publishing LLCAIP Advances2158-32262016-05-0165055302055302-1210.1063/1.4948750008605ADVPrediction of variation in d-orbital occupancy in strain induced tetragonal phase of BiFeO3 thin filmManish Verma0Kanik Ram1School of Physics and Materials Science, Thapar University, Patiala Pin-147004, Punjab-INDIADefense Materials & Stores, Research and Development Establishment (DMSRDE), Kanpur, Pin-208013 (UP)-INDIAA 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 tetragonal phase has been predicted, thereby clearly establishing the role of strain behind the d-orbital occupancy.http://dx.doi.org/10.1063/1.4948750
spellingShingle Manish Verma
Kanik Ram
Prediction of variation in d-orbital occupancy in strain induced tetragonal phase of BiFeO3 thin film
AIP Advances
title Prediction of variation in d-orbital occupancy in strain induced tetragonal phase of BiFeO3 thin film
title_full Prediction of variation in d-orbital occupancy in strain induced tetragonal phase of BiFeO3 thin film
title_fullStr Prediction of variation in d-orbital occupancy in strain induced tetragonal phase of BiFeO3 thin film
title_full_unstemmed Prediction of variation in d-orbital occupancy in strain induced tetragonal phase of BiFeO3 thin film
title_short Prediction of variation in d-orbital occupancy in strain induced tetragonal phase of BiFeO3 thin film
title_sort prediction of variation in d orbital occupancy in strain induced tetragonal phase of bifeo3 thin film
url http://dx.doi.org/10.1063/1.4948750
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