Carrier-mediated ferromagnetism in two-dimensional PtS2. Issue 2 (3rd January 2020)

• Record Type: Journal Article
• Authors: Iordanidou, Konstantina; Houssa, Michel; Persson, Clas
• Is Part Of: RSC advances. Volume 10:Issue 2(2020)
• Page Start: 952
• Page End: 957
• Publication Date: 2020-01-03
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c9ra09756b
• Languages: English
• ISSNs: 2046-2069

Abstract

Abstract : Using first principles calculations based on density functional theory the impact of hole doping on the magnetic and electronic properties of two dimensional PtS2 is studied. Abstract : Using first principles calculations based on density functional theory, we study the impact of hole doping on the magnetic and electronic properties of two dimensional PtS2 . Although 2D PtS2 is intrinsically non-magnetic, a stable ferromagnetic phase is found for a wide range of hole densities, owing to the so-called Stoner instabilities. Besides spontaneous magnetization, half-metallicity is additionally observed. The majority and minority spin states exhibit insulating and metallic nature, respectively, allowing a fully polarized spin transport in 2D PtS2 . Lastly, hole doping resulting from substitutional doping is investigated. For As-doped PtS2 shallow spin-polarized states close to the valence band edge are observed, and among all studied group-V dopants, As replacing S, is the most promising one to induce p-type conductivity and a subsequent ferromagnetic order in PtS2 .