Abstract
Metal-free half-metallicity is the subject of intense research in the field of spintronics devices. Using density functional theoretical calculations, atom-thin hexagonal boron nitride (h-BN)-based systems are studied for possible spintronics applications. Ferromagnetism is observed in patterned C-doped h-BN systems. Interestingly, such a patterned C-doped h-BN exhibits half-metallicity with a Curie temperature of approximately 324 K at a particular C-doping concentration. It shows half-metallicity more than metal-free systems studied to date. Thus, such a BN-based system can be used to achieve a 100 % spin-polarised current at the Fermi level. Furthermore, this C-doped system shows excellent dynamical, thermal, and mechanical properties. Therefore, a stable metal-free planar ferromagnetic half-metallic h-BN-based system is proposed for use in room-temperature spintronics devices.
Original language | English (US) |
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Pages (from-to) | 153-161 |
Number of pages | 9 |
Journal | ChemPhysChem |
Volume | 19 |
Issue number | 1 |
DOIs | |
State | Published - Jan 5 2018 |
Externally published | Yes |
Bibliographical note
Publisher Copyright:© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
Keywords
- carbon doping
- ferromagnetism
- half-metallicity
- hexagonal boron nitride
- spintronics