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High Curie Temperature and Half-metallicity in Atomically Thin Main Group Based Boron Phosphide System: Long Range Ferromagnetism

Abstract

Transition metal free magnetism and half-metallicity have drawn remarkable attention in current times due to their future application in spintronics device. Using state-of-the-art density functional theory (DFT) calculations, we have considered Be and Mg incorporated atomically thin boron phosphide (BP) systems for possible spintronics applications. Interestingly, our result revels that Mg and Be substitution at P-site exhibits ferromagnetism and half-metallicity. We have also found long range ferromagnetism and high Curie temperature (Tc= ~494 K) in MgP@BP system which is remarkably high amongst the existing reported main group based 2D materials till date. The calculated magnetic anisotropy energy (MAE) is as high as 21.6 µeV/Mg. The stability study of Mg doped BP systems shows excellent dynamical, thermal and mechanical properties. Thus, such a material with high Curie temperature is able to function at elevated temperatures for future nano-spintronics device application.

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Publication details

The article was received on 31 May 2018, accepted on 09 Aug 2018 and first published on 09 Aug 2018


Article type: Paper
DOI: 10.1039/C8CP03440K
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    High Curie Temperature and Half-metallicity in Atomically Thin Main Group Based Boron Phosphide System: Long Range Ferromagnetism

    G. Bhattacharyya, I. Choudhuri and B. Pathak, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP03440K

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