Fluorinated perovskite as magnetic spin-polarised semiconductor

E. A. Moore, A. A. Mohammed, Hisham Widatallah, A. I. Arbab

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)39-42
Number of pages4
JournalSolid State Communications
Volume294
DOIs
Publication statusPublished - Jun 1 2019

Fingerprint

Perovskite
Strontium
Substitution reactions
Fluorine
substitutes
Semiconductor materials
strontium
fluorine
Fluorination
fluorination
perovskites
Manganese
Fluorides
Discrete Fourier transforms
Ground state
Anions
fluorides
Cations
proposals
manganese

Keywords

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

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

Cite this

Fluorinated perovskite as magnetic spin-polarised semiconductor. / Moore, E. A.; Mohammed, A. A.; Widatallah, Hisham; Arbab, A. I.

In: Solid State Communications, Vol. 294, 01.06.2019, p. 39-42.

Research output: Contribution to journalArticle

Moore, E. A. ; Mohammed, A. A. ; Widatallah, Hisham ; Arbab, A. I. / Fluorinated perovskite as magnetic spin-polarised semiconductor. In: Solid State Communications. 2019 ; Vol. 294. pp. 39-42.
@article{1c7a0dcabb014de9bc0912c76444bda4,
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 Hisham Widatallah and Arbab, {A. I.}",
year = "2019",
month = "6",
day = "1",
doi = "10.1016/j.ssc.2019.03.005",
language = "English",
volume = "294",
pages = "39--42",
journal = "Solid State Communications",
issn = "0038-1098",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - Fluorinated perovskite as magnetic spin-polarised semiconductor

AU - Moore, E. A.

AU - Mohammed, A. A.

AU - Widatallah, Hisham

AU - Arbab, A. I.

PY - 2019/6/1

Y1 - 2019/6/1

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

UR - http://www.scopus.com/inward/record.url?scp=85063278377&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85063278377&partnerID=8YFLogxK

U2 - 10.1016/j.ssc.2019.03.005

DO - 10.1016/j.ssc.2019.03.005

M3 - Article

VL - 294

SP - 39

EP - 42

JO - Solid State Communications

JF - Solid State Communications

SN - 0038-1098

ER -