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The interface between Gd and monolayer MoS2: a first-principles study.


ABSTRACT: We analyze the electronic structure of interfaces between two-, four- and six-layer Gd(0001) and monolayer MoS2 by first-principles calculations. Strong chemical bonds shift the Fermi energy of MoS2 upwards into the conduction band. At the surface and interface the Gd f states shift to lower energy and new surface/interface Gd d states appear at the Fermi energy, which are strongly hybridized with the Mo 4d states and thus lead to a high spin-polarization (ferromagnetically ordered Mo magnetic moments of 0.15 μ(B)). Gd therefore is an interesting candidate for spin injection into monolayer MoS2.

SUBMITTER: Zhang X 

PROVIDER: S-EPMC4258683 | biostudies-other | 2014

REPOSITORIES: biostudies-other

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