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  Ferromagnetism induced by Cr, V single and double impurities doped BN from Ab-initio and Monte Carlo study

Behloul, M., Benhouria, Y., Essaoudi, I., Ainane, A., Ez-zahraouy, H., & Ahuja, R. (2018). Ferromagnetism induced by Cr, V single and double impurities doped BN from Ab-initio and Monte Carlo study. Computational Condensed Matter, 16: e00317. doi:10.1016/j.cocom.2018.e00317.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0002-66A0-6 Version Permalink: https://hdl.handle.net/21.11116/0000-0003-2391-1
Genre: Journal Article

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https://www.sciencedirect.com/science/article/pii/S2352214318301588 (Publisher version)
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 Creators:
Behloul, M.1, Author
Benhouria, Y.1, Author
Essaoudi, I.1, Author
Ainane, Abdelmajid2, Author           
Ez-zahraouy, H.1, Author
Ahuja, R.1, Author
Affiliations:
1external, ou_persistent22              
2Max Planck Institute for the Physics of Complex Systems, Max Planck Society, ou_2117288              

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 MPIPKS: Superconductivity and magnetism
 Abstract: Using the Ab initio calculations and Monte Carlo (MC) simulations, we investigate the electronic and magnetic properties of cubic BN compound doped and co-doped with Chromium (Cr) and Vanadium (V) atoms. The calculated electronic band structure and density of states (DOS) of doped BN with single and double impurities can induce localized edge states around Fermi level, leading from semiconductor to half-metal transition. Thereafter, the stability of ferromagnetic (FM) ordering and disordered local magnetic moment (DLM) configurations has been explored. The interesting Curie temperature (T-c), magnetization and susceptibility results for the various concentrations of Chromium (Cr) and Vanadium (V) co-doped (doped) BN suggest a vast exploitation attention in spintronic applications. (C) 2018 Elsevier B.V. All rights reserved.

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Language(s): eng - English
 Dates: 2018-06-212018-09
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: 000444502900007
DOI: 10.1016/j.cocom.2018.e00317
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Title: Computational Condensed Matter
Source Genre: Journal
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Pages: - Volume / Issue: 16 Sequence Number: e00317 Start / End Page: - Identifier: ISSN: 2352-2143