Unexpected strong magnetism of Cu doped single-layer MoS2 and its origin

The magnetism of the 3d transition-metal (TM) doped single-layer (1L) MoS 2 , where the Mo atom is partially replaced by the 3d TM atom, is investigated using the first-principles density functional calculations. In a series of 3d TM doped 1L-MoS 2 's, the induced spin polarizations are negligi...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2014-05, Vol.16 (19), p.899-8996
Hauptverfasser: Yun, Won Seok, Lee, J. D
Format: Artikel
Sprache:eng
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