High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system: long range ferromagnetism

Gargee Bhattacharyya, Indrani Choudhuri, Biswarup Pathak

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Transition metal-free magnetism and half-metallicity are currently drawing remarkable attention due to their potential future applications in spintronics devices. Using state-of-the-art density functional theory (DFT) calculations, we have considered Be and Mg incorporated in atomically thin boron phosphide (BP) systems for possible spintronics applications. Interestingly, our results reveal that Mg and Be substitution at P-sites exhibits ferromagnetism and half-metallicity. We also found long range ferromagnetism and a high Curie temperature (TC = ∼494 K) in the MgP@BP system; this Curie temperature is remarkably high amongst the existing main group-based 2D materials reported to date. The calculated magnetic anisotropy energy (MAE) is as high as 21.6 μeV per Mg. The stability study of the Mg-doped BP systems shows excellent dynamical, thermal and mechanical properties. Thus, a material with this high Curie temperature can function at elevated temperatures for future nano-spintronics device applications.

Original languageEnglish (US)
Pages (from-to)22877-22889
Number of pages13
JournalPhysical Chemistry Chemical Physics
Volume20
Issue number35
DOIs
StatePublished - Jan 1 2018

Fingerprint

boron phosphides
Magnetoelectronics
Boron
Ferromagnetism
Curie temperature
ferromagnetism
metallicity
Magnetic anisotropy
Magnetism
Transition metals
Density functional theory
Substitution reactions
Thermodynamic properties
thermodynamic properties
transition metals
mechanical properties
substitutes
density functional theory
Mechanical properties
anisotropy

Cite this

High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system : long range ferromagnetism. / Bhattacharyya, Gargee; Choudhuri, Indrani; Pathak, Biswarup.

In: Physical Chemistry Chemical Physics, Vol. 20, No. 35, 01.01.2018, p. 22877-22889.

Research output: Contribution to journalArticle

@article{a5e6a703238c48b8b35eef45c8045569,
title = "High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system: long range ferromagnetism",
abstract = "Transition metal-free magnetism and half-metallicity are currently drawing remarkable attention due to their potential future applications in spintronics devices. Using state-of-the-art density functional theory (DFT) calculations, we have considered Be and Mg incorporated in atomically thin boron phosphide (BP) systems for possible spintronics applications. Interestingly, our results reveal that Mg and Be substitution at P-sites exhibits ferromagnetism and half-metallicity. We also found long range ferromagnetism and a high Curie temperature (TC = ∼494 K) in the MgP@BP system; this Curie temperature is remarkably high amongst the existing main group-based 2D materials reported to date. The calculated magnetic anisotropy energy (MAE) is as high as 21.6 μeV per Mg. The stability study of the Mg-doped BP systems shows excellent dynamical, thermal and mechanical properties. Thus, a material with this high Curie temperature can function at elevated temperatures for future nano-spintronics device applications.",
author = "Gargee Bhattacharyya and Indrani Choudhuri and Biswarup Pathak",
year = "2018",
month = "1",
day = "1",
doi = "10.1039/C8CP03440K",
language = "English (US)",
volume = "20",
pages = "22877--22889",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "35",

}

TY - JOUR

T1 - High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system

T2 - long range ferromagnetism

AU - Bhattacharyya, Gargee

AU - Choudhuri, Indrani

AU - Pathak, Biswarup

PY - 2018/1/1

Y1 - 2018/1/1

N2 - Transition metal-free magnetism and half-metallicity are currently drawing remarkable attention due to their potential future applications in spintronics devices. Using state-of-the-art density functional theory (DFT) calculations, we have considered Be and Mg incorporated in atomically thin boron phosphide (BP) systems for possible spintronics applications. Interestingly, our results reveal that Mg and Be substitution at P-sites exhibits ferromagnetism and half-metallicity. We also found long range ferromagnetism and a high Curie temperature (TC = ∼494 K) in the MgP@BP system; this Curie temperature is remarkably high amongst the existing main group-based 2D materials reported to date. The calculated magnetic anisotropy energy (MAE) is as high as 21.6 μeV per Mg. The stability study of the Mg-doped BP systems shows excellent dynamical, thermal and mechanical properties. Thus, a material with this high Curie temperature can function at elevated temperatures for future nano-spintronics device applications.

AB - Transition metal-free magnetism and half-metallicity are currently drawing remarkable attention due to their potential future applications in spintronics devices. Using state-of-the-art density functional theory (DFT) calculations, we have considered Be and Mg incorporated in atomically thin boron phosphide (BP) systems for possible spintronics applications. Interestingly, our results reveal that Mg and Be substitution at P-sites exhibits ferromagnetism and half-metallicity. We also found long range ferromagnetism and a high Curie temperature (TC = ∼494 K) in the MgP@BP system; this Curie temperature is remarkably high amongst the existing main group-based 2D materials reported to date. The calculated magnetic anisotropy energy (MAE) is as high as 21.6 μeV per Mg. The stability study of the Mg-doped BP systems shows excellent dynamical, thermal and mechanical properties. Thus, a material with this high Curie temperature can function at elevated temperatures for future nano-spintronics device applications.

UR - http://www.scopus.com/inward/record.url?scp=85053385761&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85053385761&partnerID=8YFLogxK

U2 - 10.1039/C8CP03440K

DO - 10.1039/C8CP03440K

M3 - Article

AN - SCOPUS:85053385761

VL - 20

SP - 22877

EP - 22889

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 35

ER -