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, Abdelmajid; Ez-zahraouy, H.; Ahuja, R.

doi:10.1016/j.cocom.2018.e00317

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

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Ainane, Abdelmajid
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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https://www.sciencedirect.com/science/article/pii/S2352214318301588
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Citation

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.

Cite as: https://hdl.handle.net/21.11116/0000-0002-66A0-6

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.