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

Manish Verma | Zendy; Kanik Ram | Zendy

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

Author(s) -

Manish Verma,

Kanik Ram

Publication year - 2016

Publication title -

aip advances

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.421

H-Index - 58

ISSN - 2158-3226

DOI - 10.1063/1.4948750

Subject(s) - tetragonal crystal system , phase (matter) , occupancy , strain (injury) , condensed matter physics , thin film , materials science , trigonal crystal system , crystallography , chemistry , physics , crystal structure , nanotechnology , quantum mechanics , medicine , ecology , biology

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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