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An intrinsic room-temperature half-metallic ferromagnet in a metal-free PN2 monolayer.
- Source :
- Physical Chemistry Chemical Physics (PCCP); 3/21/2022, Vol. 24 Issue 11, p7077-7083, 7p
- Publication Year :
- 2022
-
Abstract
- In spintronics, the embodiment of abundance availability, long spin relaxation time, complete spin-polarization and high Curie temperature (T<subscript>C</subscript>) in intrinsic metal-free half-metallic ferromagnets (MFHMFs) are highly desirable and challenging. In this work, employing density functional theory, we first propose a dynamically, thermally, and mechanically stable two-dimensional (2D) intrinsic MFHMF, i.e. a MoS<subscript>2</subscript>-like PN<subscript>2</subscript> monolayer, which possesses not only completely spin-polarized half-metallicity, but also an above-room-temperature T<subscript>C</subscript> (385 K). The half-metallic gap is calculated to be 1.70 eV, which can effectively prevent the spin–flip transition caused by thermal agitation. The mechanism of magnetism in the PN<subscript>2</subscript> monolayer is mainly derived from the p electron direct exchange interaction that separates from usual d-state magnetic materials. Moreover, the robustness of the ferromagnetism and half-metallicity is observed against an external strain and carrier (electron or hole) doping. Surprisingly, electron doping can effectively increase the Curie temperature of the PN<subscript>2</subscript> monolayer. The proposed research work provides an insight that PN<subscript>2</subscript> can be a promising candidate for realistic room-temperature metal-free spintronic applications. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14639076
- Volume :
- 24
- Issue :
- 11
- Database :
- Complementary Index
- Journal :
- Physical Chemistry Chemical Physics (PCCP)
- Publication Type :
- Academic Journal
- Accession number :
- 155869763
- Full Text :
- https://doi.org/10.1039/d2cp00010e