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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Format: | Article |
Language: | English |
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AIP Publishing LLC
2016-05-01
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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. |
first_indexed | 2024-12-10T11:13:16Z |
format | Article |
id | doaj.art-f0e047f5e3eb4fe2966ca2b8714dbb6a |
institution | Directory Open Access Journal |
issn | 2158-3226 |
language | English |
last_indexed | 2024-12-10T11:13:16Z |
publishDate | 2016-05-01 |
publisher | AIP Publishing LLC |
record_format | Article |
series | AIP Advances |
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 |
work_keys_str_mv | AT manishverma predictionofvariationindorbitaloccupancyinstraininducedtetragonalphaseofbifeo3thinfilm AT kanikram predictionofvariationindorbitaloccupancyinstraininducedtetragonalphaseofbifeo3thinfilm |