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Magnetoelectric, and dielectric based switching properties of co-doped BiFeO3 for low energy memory technology: a first-principles study

First-principles calculations are carried out to grow half-metallicity, tune dielectric and magnetoelectric properties of pure and doped bismuth ferrite BiFeO3 (BFO) with lanthanum (La) at A-site and cobalt (Co) at B-site as mono- and co-dopants. These calculations are performed in the Cambridge Ser...

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Main Authors: Muhammad Tariq, Muhammad Tariq, Shaari, Amiruddin, Chaudhary, Kashif, Ahmed, Rashid, Jalil, Muhammad Arif, Ismail, Fairuz Dyana
Format: Article
Published: Elsevier B.V. 2023
Subjects:
QC Physics
Online Access:http://eprints.utm.my/106242/
http://dx.doi.org/10.1016/j.physb.2022.414489
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spelling my.utm.1062422024-06-20T02:26:11Z http://eprints.utm.my/106242/ Magnetoelectric, and dielectric based switching properties of co-doped BiFeO3 for low energy memory technology: a first-principles study Muhammad Tariq, Muhammad Tariq Shaari, Amiruddin Chaudhary, Kashif Ahmed, Rashid Jalil, Muhammad Arif Ismail, Fairuz Dyana QC Physics First-principles calculations are carried out to grow half-metallicity, tune dielectric and magnetoelectric properties of pure and doped bismuth ferrite BiFeO3 (BFO) with lanthanum (La) at A-site and cobalt (Co) at B-site as mono- and co-dopants. These calculations are performed in the Cambridge Serial Total Energy Package (CASTEP) code using ultra-soft pseudopotential (USP). A large band gap has been observed in the pure rhombohedral phase. The Co impurity atom is more favorable to decrease the band gap while La pushes the BFO towards half-metallic behavior, which develops 100% polarization in all doped BFO systems. From the dielectric response of BFO, high spin current density <s> of 8.7 × 103 A/m2 and charge current density (j) of 6.3 × 10–11 A/m2 have been observed in the La doped system. In the case of magnetic properties, the strong magnetization (M) 32.13 MA/cm2 and the large magnetoelectric coupling coefficient of 6.72× 10−6 s/m have been observed in co-doped BFO. Elsevier B.V. 2023-02-01 Article PeerReviewed Muhammad Tariq, Muhammad Tariq and Shaari, Amiruddin and Chaudhary, Kashif and Ahmed, Rashid and Jalil, Muhammad Arif and Ismail, Fairuz Dyana (2023) Magnetoelectric, and dielectric based switching properties of co-doped BiFeO3 for low energy memory technology: a first-principles study. Physica B: Condensed Matter, 650 (NA). NA. ISSN 0921-4526 http://dx.doi.org/10.1016/j.physb.2022.414489 DOI:10.1016/j.physb.2022.414489
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
topic QC Physics
spellingShingle QC Physics
Muhammad Tariq, Muhammad Tariq
Shaari, Amiruddin
Chaudhary, Kashif
Ahmed, Rashid
Jalil, Muhammad Arif
Ismail, Fairuz Dyana
Magnetoelectric, and dielectric based switching properties of co-doped BiFeO3 for low energy memory technology: a first-principles study
description First-principles calculations are carried out to grow half-metallicity, tune dielectric and magnetoelectric properties of pure and doped bismuth ferrite BiFeO3 (BFO) with lanthanum (La) at A-site and cobalt (Co) at B-site as mono- and co-dopants. These calculations are performed in the Cambridge Serial Total Energy Package (CASTEP) code using ultra-soft pseudopotential (USP). A large band gap has been observed in the pure rhombohedral phase. The Co impurity atom is more favorable to decrease the band gap while La pushes the BFO towards half-metallic behavior, which develops 100% polarization in all doped BFO systems. From the dielectric response of BFO, high spin current density <s> of 8.7 × 103 A/m2 and charge current density (j) of 6.3 × 10–11 A/m2 have been observed in the La doped system. In the case of magnetic properties, the strong magnetization (M) 32.13 MA/cm2 and the large magnetoelectric coupling coefficient of 6.72× 10−6 s/m have been observed in co-doped BFO.
format Article
author Muhammad Tariq, Muhammad Tariq
Shaari, Amiruddin
Chaudhary, Kashif
Ahmed, Rashid
Jalil, Muhammad Arif
Ismail, Fairuz Dyana
author_facet Muhammad Tariq, Muhammad Tariq
Shaari, Amiruddin
Chaudhary, Kashif
Ahmed, Rashid
Jalil, Muhammad Arif
Ismail, Fairuz Dyana
author_sort Muhammad Tariq, Muhammad Tariq
title Magnetoelectric, and dielectric based switching properties of co-doped BiFeO3 for low energy memory technology: a first-principles study
title_short Magnetoelectric, and dielectric based switching properties of co-doped BiFeO3 for low energy memory technology: a first-principles study
title_full Magnetoelectric, and dielectric based switching properties of co-doped BiFeO3 for low energy memory technology: a first-principles study
title_fullStr Magnetoelectric, and dielectric based switching properties of co-doped BiFeO3 for low energy memory technology: a first-principles study
title_full_unstemmed Magnetoelectric, and dielectric based switching properties of co-doped BiFeO3 for low energy memory technology: a first-principles study
title_sort magnetoelectric, and dielectric based switching properties of co-doped bifeo3 for low energy memory technology: a first-principles study
publisher Elsevier B.V.
publishDate 2023
url http://eprints.utm.my/106242/
http://dx.doi.org/10.1016/j.physb.2022.414489
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score 13.211869

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