Fluorinated perovskite as magnetic spin-polarised semiconductor

E. A. Moore; A. A. Mohammed; H. M. Widatallah; A. I. Arbab

doi:10.1016/j.ssc.2019.03.005

Fluorinated perovskite as magnetic spin-polarised semiconductor

E. A. Moore^*, A. A. Mohammed, H. M. Widatallah, A. I. Arbab

^*Corresponding author for this work

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	39-42
Number of pages	4
Journal	Solid State Communications
Volume	294
DOIs	https://doi.org/10.1016/j.ssc.2019.03.005
Publication status	Published - Jun 2019

Keywords

A. perovskites
A. semiconductors
D. ferromagnetism
E. DFT

ASJC Scopus subject areas

General Chemistry
Condensed Matter Physics
Materials Chemistry

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10.1016/j.ssc.2019.03.005

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title = "Fluorinated perovskite as magnetic spin-polarised semiconductor",

abstract = " 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.",

keywords = "A. perovskites, A. semiconductors, D. ferromagnetism, E. DFT",

author = "Moore, {E. A.} and Mohammed, {A. A.} and Widatallah, {H. M.} and Arbab, {A. I.}",

note = "Publisher Copyright: {\textcopyright} 2019",

year = "2019",

month = jun,

doi = "10.1016/j.ssc.2019.03.005",

language = "English",

volume = "294",

pages = "39--42",

journal = "Solid State Communications",

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T1 - Fluorinated perovskite as magnetic spin-polarised semiconductor

AU - Moore, E. A.

AU - Mohammed, A. A.

AU - Widatallah, H. M.

AU - Arbab, A. I.

PY - 2019/6

Y1 - 2019/6

N2 - 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.

AB - 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.

KW - A. perovskites

KW - A. semiconductors

KW - D. ferromagnetism

KW - E. DFT

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DO - 10.1016/j.ssc.2019.03.005

M3 - Article

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VL - 294

SP - 39

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JO - Solid State Communications

JF - Solid State Communications

ER -

Fluorinated perovskite as magnetic spin-polarised semiconductor

Abstract

Keywords

ASJC Scopus subject areas

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