Enhancing the Curie Temperature in CrGeTe Via Charge Doping: A First-Principles Study

Overview

Journal Molecules

Publisher MDPI

Specialty Biology

Date 2023 May 13

PMID 37175302

Authors

Yinlong Hou

Yu Wei

Dan Yang

Ke Wang

Kai Ren

Gang Zhang

Affiliations

Soon will be listed here.

Abstract

In this work, we explore the impacts of charge doping on the magnetism of a CrGeTe monolayer using first-principles calculations. Our results reveal that doping with 0.3 electrons per unit cell can enhance the ferromagnetic exchange constant in a CrGeTe monolayer from 6.874 meV to 10.202 meV, which is accompanied by an increase in the Curie temperature from ~85 K to ~123 K. The enhanced ratio of the Curie temperature is up to 44.96%, even higher than that caused by surface functionalization on monolayer CrGeTe, manifesting the effectiveness of charge doping by improving the magnetic stability of 2D magnets. This remarkable enhancement in the ferromagnetic exchange constant and Curie temperature can be attributed to the increase in the magnetic moment on the Te atom, enlarged Cr-Te-Cr bond angle, reduced Cr-Te distance, and the significant increase in super-exchange coupling between Cr and Te atoms. These results demonstrate that charge doping is a promising route to improve the magnetic stability of 2D magnets, which is beneficial to overcome the obstacles in the application of 2D magnets in spintronics.

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