Phase diagram and thermodynamic properties of compounds in the SrO-SrF2-Mn2O3-O2 system

Much work has been done on cation substitution of manganese perovskites, but less on anion substitution. Recently there have been reports on fluorination of these compounds, generally leading to double perovskite structures. This work explores the effect of fluorine substitution on the magnetic and electrical properties of the perovskite cubic strontium manganite using first principles DFT calculations. Results on fluorine-doped strontium manganite with one or two fluoride ions surrounding each iron are presented. The ground state of Sr 2 Mn 2 O 5 F is found to be a small band gap spin-biased semiconductor. This is the first proposal that a fluorinated manganite could be a ferromagnetic spin-polarised semiconductor. A. perovskites ; D. ferromagnetism ; A. semiconductors ; E. DFT Highlights  Sr 2 Mn 2 O 5 F has been identified as having potential for electronic devices.  This structure is predicted to be a spin-biased ferromagnetic semiconductor.  Properties are varied by anion-doping rather than the more common cation-doping.  Mn is surrounded by a distorted octahedron of five oxide and one fluoride ions.

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Fluorinated perovskite as magnetic spin-polarised semiconductor

Moore

Mohammed

Widatallah

et al. 2019

Solid State Communications

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Phase diagram and thermodynamic properties of compounds in the SrO-SrF2-Mn2O3-O2 system

Cited by 1 publication

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Fluorinated perovskite as magnetic spin-polarised semiconductor

Fluorinated perovskite as magnetic spin-polarised semiconductor

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