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Boosting the spin polarization and ferromagnetic stability of monolayer C3N through strategic mono-doping and co-doping with copper (Cu) and vanadium (V).
- Source :
-
New Journal of Chemistry . 7/21/2024, Vol. 48 Issue 27, p12288-12293. 6p. - Publication Year :
- 2024
-
Abstract
- The inherently low spin polarization of ferromagnetism in two-dimensional C3N hinders its application in spintronics. Addressing this, the impact of (V, Cu) co-doping on the spin polarization in monolayer C3N has been systemically explored through first-principles calculations. The results reveal that doping with a single V or Cu atom at an N site significantly enhances spin polarization compared to doping at a C site. Moreover, substituting a single C or N atom with a V atom results in significantly enhanced spin polarization compared to replacement with a Cu atom. Significantly, V and Cu co-doping at different N sites in C3N systems uniformly favors ferromagnetic states. A remarkable boost in spin polarization is achieved through strategic co-doping of V and Cu at N sites, separated by a distance of 5.681 Å. This enhancement is attributed to the coupling interactions among the C 2p, N 2p, Cu 3d, and V 3d orbitals. The theoretical investigation suggests an effective route to greatly enhance the spin polarization through targeted 3d transition metal co-doping, contributing to the development of high-performance spintronic devices and advancing quantum computing technologies. [ABSTRACT FROM AUTHOR]
- Subjects :
- *SPIN polarization
*COPPER
*VANADIUM
*MONOMOLECULAR films
*TRANSITION metals
Subjects
Details
- Language :
- English
- ISSN :
- 11440546
- Volume :
- 48
- Issue :
- 27
- Database :
- Academic Search Index
- Journal :
- New Journal of Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 178314021
- Full Text :
- https://doi.org/10.1039/d4nj01786b