Two-Dimensional Magnetic Semiconductors by Substitutional Doping of Monolayer PtS2

被引：2

作者：

Bordjiba, Zeyneb ^{[1
,2
]}

Rout, Paresh C. ^{[1
]}

Sun, Minglei ^{[1
]}

Meddour, Athmane ^{[2
]}

Schwingenschlogl, Udo ^{[1
]}

机构：

[1] King Abdullah Univ Sci & Technol KAUST, Phys Sci & Engn Div, Thuwal 239556900, Saudi Arabia

[2] Univ 8 Mai 1945 Guelma, Lab Phys Materiaux, Guelma 24000, Algeria

来源：

ACS APPLIED ELECTRONIC MATERIALS | 2024年 / 6卷 / 10期

关键词：

PtS2; monolayer; doping; half-metal; magnetic semiconductor; Curie temperature; TRANSITION-METAL; ELECTRONIC-STRUCTURES; MOS2; GRAPHENE; FERROMAGNETISM; DYNAMICS;

D O I：

10.1021/acsaelm.4c01196

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

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 mu(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.

引用

页码：7268 / 7275

页数：8

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