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Issue 29, 2016
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Transition-metal embedded carbon nitride monolayers: high-temperature ferromagnetism and half-metallicity

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Abstract

High-temperature ferromagnetic materials with planar surfaces are promising candidates for spintronics applications. Using state-of-the-art density functional theory (DFT) calculations, transition metal (TM = Cr, Mn, and Fe) incorporated graphitic carbon nitride (TM@gt-C3N4) systems are investigated as possible spintronics devices. Interestingly, ferromagnetism and half-metallicity were observed in all of the TM@gt-C3N4 systems. We find that Cr@gt-C3N4 is a nearly half-metallic ferromagnetic material with a Curie temperature of ∼450 K. The calculated Curie temperature is noticeably higher than other planar 2D materials studied to date. Furthermore, it has a steel-like mechanical stability and also possesses remarkable dynamic and thermal (500 K) stability. The calculated magnetic anisotropy energy (MAE) in Cr@gt-C3N4 is as high as 137.26 μeV per Cr. Thereby, such material with a high Curie temperature can be operated at high temperatures for spintronics devices.

Graphical abstract: Transition-metal embedded carbon nitride monolayers: high-temperature ferromagnetism and half-metallicity

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Publication details

The article was received on 22 Apr 2016, accepted on 08 Jun 2016 and first published on 08 Jun 2016


Article type: Paper
DOI: 10.1039/C6NR03282F
Citation: Nanoscale, 2016,8, 14117-14126
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    Transition-metal embedded carbon nitride monolayers: high-temperature ferromagnetism and half-metallicity

    I. Choudhuri, S. Kumar, A. Mahata, K. S. Rawat and B. Pathak, Nanoscale, 2016, 8, 14117
    DOI: 10.1039/C6NR03282F

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