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Experimental and Theoretical Validation of Room Temperature Intrinsic Ferromagnetism in Cr3C2 Due to Interstitial Carbon Atoms
Ist Teil von
Physica status solidi. PSS-RRL. Rapid research letters, 2022-11, Vol.16 (11), p.n/a
Ort / Verlag
Weinheim: Wiley Subscription Services, Inc
Erscheinungsjahr
2022
Link zum Volltext
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
Ferromagnetism is explored in Cr3C2 from microscopic to electronic levels and the spin coupling is attributed to the p electrons of the nearest‐neighbor carbon atoms around the Cr–C atomic interactions. By using the spin‐polarized density functional calculations, four models are formulated. The models reveal that the C atoms seated in tri‐prism I site can induce magnetic moments and the C vacancies can also take part in the induced magnetic moment. The p–d orbital interactions between C interstitial atom and Cr atom contribute to two asymmetric states of majority and minority spins and lead to weak magnetic moments. The C interstitial atoms and C vacancies in the crystal lattice of Cr3C2 are observed by high‐resolution transmission electron microscopy and electron‐spin resonance (ESR) techniques. The magnetic properties of Cr3C2 are investigated by a superconducting quantum interference device.
Ferromagnetism is explored from microscopic to electronic levels in Cr3C2 nanocapsules (NCs). Our density functional theory calculations reveal that the carbon atoms seated in C‐triprs I sites along with C atoms vacancies can induce magnetic moments. Magnetic signal in Cr3C2 NCs experimentally recognizes through electron‐spin resonance (ESR) and superconducting quantum interference device techniques.