Two-Dimensional Magnetic Semiconductors by Substitutional Doping of Monolayer PtS2

Zeyneb Bordjiba; Paresh C. Rout; Minglei Sun; Athmane Meddour; Udo Schwingenschlögl

doi:10.1021/acsaelm.4c01196

Two-Dimensional Magnetic Semiconductors by Substitutional Doping of Monolayer PtS₂

Zeyneb Bordjiba, Paresh C. Rout, Minglei Sun, Athmane Meddour, Udo Schwingenschlögl^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Using first-principles calculations, we study the electronic and magnetic properties of monolayer PtS₂ doped substitutionally with 3d transition metals. We obtain nonmagnetic semiconductors by doping with Ti and Ni, half-metals by doping with V and Cr, ferromagnetic semiconductors by doping with Co, and antiferromagnetic semiconductors by doping with Mn and Fe. Total magnetic moments of up to 3 μ_B are created. The Curie temperature is determined by means of a Heisenberg model in the mean-field approximation and adopting Monte Carlo simulations. 1T phase transition-metal dichal-cogenides turn out to be a promising platform for realizing two-dimensional magnetic semiconductors.

Original language	English (US)
Pages (from-to)	7268-7275
Number of pages	8
Journal	ACS Applied Electronic Materials
Volume	6
Issue number	10
DOIs	https://doi.org/10.1021/acsaelm.4c01196
State	Published - Oct 22 2024

Keywords

Curie temperature
doping
half-metal
magnetic semiconductor
monolayer
PtS

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Materials Chemistry
Electrochemistry

Access to Document

10.1021/acsaelm.4c01196

Cite this

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abstract = "Using first-principles calculations, we study the electronic and magnetic properties of monolayer PtS2 doped substitutionally with 3d transition metals. We obtain nonmagnetic semiconductors by doping with Ti and Ni, half-metals by doping with V and Cr, ferromagnetic semiconductors by doping with Co, and antiferromagnetic semiconductors by doping with Mn and Fe. Total magnetic moments of up to 3 μB are created. The Curie temperature is determined by means of a Heisenberg model in the mean-field approximation and adopting Monte Carlo simulations. 1T phase transition-metal dichal-cogenides turn out to be a promising platform for realizing two-dimensional magnetic semiconductors.",

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AU - Schwingenschlögl, Udo

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AB - Using first-principles calculations, we study the electronic and magnetic properties of monolayer PtS2 doped substitutionally with 3d transition metals. We obtain nonmagnetic semiconductors by doping with Ti and Ni, half-metals by doping with V and Cr, ferromagnetic semiconductors by doping with Co, and antiferromagnetic semiconductors by doping with Mn and Fe. Total magnetic moments of up to 3 μB are created. The Curie temperature is determined by means of a Heisenberg model in the mean-field approximation and adopting Monte Carlo simulations. 1T phase transition-metal dichal-cogenides turn out to be a promising platform for realizing two-dimensional magnetic semiconductors.

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