Hydrogen-induced ferromagnetism in two-dimensional Pt dichalcogenides

P. Manchanda, A. Enders, D. J. Sellmyer, R. Skomski

Research output: Contribution to journalArticle

23 Scopus citations

Abstract

Electronic, structural, and magnetic properties of Pt dichalcogenide monolayers are investigated using first-principle 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.

Original languageEnglish (US)
Article number104426
JournalPhysical Review B
Volume94
Issue number10
DOIs
StatePublished - Sep 23 2016

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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