Two-dimensional C12Mn2/C12Cr2 as a room-temperature half metal/antiferromagnetic semiconductor: a systematic study

Ferromagnetism in half-metallic two-dimensional (2D) materials can lead to unique spintronics applications. In this paper, we report first-principle calculations that predict 2D single-layer C12Mn2 as a ferromagnetic half metal, and 2D single-layer C12Cr2 as an antiferromagnetic semiconductor. A sys...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2017, Vol.19 (4), p.3394-3404
Main Author: Lin, Zheng-Zhe
Format: Article
Language:English
Subjects:
Antiferromagnetism
Design engineering
Ferromagnetism
Filtering
Mathematical analysis
Semiconductors
Spintronics
Structural stability
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Summary:Ferromagnetism in half-metallic two-dimensional (2D) materials can lead to unique spintronics applications. In this paper, we report first-principle calculations that predict 2D single-layer C12Mn2 as a ferromagnetic half metal, and 2D single-layer C12Cr2 as an antiferromagnetic semiconductor. A systematic study is carried out to demonstrate the reliability of our research. We employ a bottom-up method to investigate the structural and magnetic stability of single, two and more Cr or Mn atoms on graphyne at room temperature. The very high Curie/Néel temperatures of 2D C12Mn2/C12Cr2, respectively, indicate the stability of room-temperature ferromagnetism/antiferromagnetism. With perfect spin filtering, 2D C12Mn2 would be a promising material for future spintronics design.
ISSN:1463-9076
1463-9084
DOI:10.1039/c6cp07374c