Publication Date:
2016-07-08
Description:
The electronic and magnetic properties of the newly synthesized single-layer (1 L) transition-metal dichalcogenide (TMD) PtSe 2 are studied by first-principles calculations. We find the strain or selenium vacancy (V Se ) alone cannot induce the magnetism. However, an interplay between strain and V Se leads to the magnetism due to the breaking of Pt-Pt metallic bonds. Different from the case of 1 L-MoS 2 with V S , the defective 1 L-PtSe 2 has the spatially extended spin density, which is responsible for the obtained long range ferromagnetic coupling. Moreover, the 1 L-PtSe 2 with V Se undergoes a spin reorientation transition from out-of-plane to in-plane magnetization, accompanying a maximum magnetocrystalline anisotropy energy of ∼9–10.6 meV/V Se . These results indicate the strain not only can effectively tune the magnetism but also can manipulate the magnetization direction of 1 L-TMDs.
Print ISSN:
0021-8979
Electronic ISSN:
1089-7550
Topics:
Physics
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