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• W2045308512 endingPage "335" @default.
• W2045308512 startingPage "326" @default.
• W2045308512 abstract "We investigated the magnetic and electronic properties of Fe/MoS2, Co/MoS2 and Fe3O4/MoS2 superlattices by first-principles calculations. Different structural models are considered as (a) Fe–S, (b–d) Co–S, (e–g) Fe(A)–S, (h–j) Fe(B)–S, and (k–m) O–S. In models a–d, MoS2 shows a metallic character and spin polarization appears. For models e–g, MoS2 is p-type semiconductor. In models h–j, MoS2 shows a metallic character and n-type conductivity. For models k–m, the ionic bonding forms across the O–S interface, and the O magnetic moment increased to 0.36 μB in maximum. Meanwhile, MoS2 shows a metallic feature and p-type conductivity. The different electronic and magnetic characters of the heterostructures are governed by hybridization and charge transfer between MoS2 and Fe, Co, Fe3O4." @default.
• W2045308512 created "2016-06-24" @default.
• W2045308512 creator A5004701741 @default.
• W2045308512 creator A5039611354 @default.
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• W2045308512 date "2015-03-01" @default.
• W2045308512 modified "2023-10-16" @default.
• W2045308512 title "First principles prediction on the interfaces of Fe/MoS2, Co/MoS2 and Fe3O4/MoS2" @default.
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• W2045308512 doi "https://doi.org/10.1016/j.commatsci.2015.01.001" @default.
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