Research Papers in Physics and Astronomy
Date of this Version
PHYSICAL REVIEW B 94, 104426 (2016)
Electronic, structural, and magnetic properties of Pt dichalcogenide monolayers are investigated using firstprinciple calculations.We find that hydrogenation lifts the spin degeneracy in narrow antibonding Pt 5d subband electrons and transforms the nonmagnetic semiconductors PtX2 (X = S,Se,Te) into ferromagnetic metals, PtX2-1H; neither strain nor thin-film edges are necessary to support the transition. The trend towards ferromagnetism is most pronounced for X = S, decreasing with increasing atomic weight of the chalcogens.
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