MXene-based TiC/TaC Lateral Heterostructure: an Intrinsic Room Temperature Ferromagnetic Material with Large Magnetic Anisotropy

Overview

Journal RSC Adv

Publisher Royal Society of Chemistry

Specialty Chemistry

Date 2023 Jun 12

PMID 37304787

Authors

S Ozcan

B Biel

Affiliations

Soon will be listed here.

Abstract

Two-dimensional (2D) lateral heterostructures (LH) combining TiC and TaC MXenes were investigated by means of first-principles calculations. Our structural and elastic properties calculations show that the lateral TiC/TaC heterostructure results in a 2D material that is stronger than the original isolated MXenes and other 2D monolayers such as germanene or MoS. The analysis of the evolution of the charge distribution with the size of the LH shows that, for small systems, it tends to distribute homogeneously between the two monolayers, whereas for larger systems electrons tend to accumulate in a region of ∼6 Å around the interface. The work function of the heterostructure, one crucial parameter in the design of electronic nanodevices, is found to be lower than that of some conventional 2D LH. Remarkably, all the heterostructures studied show a very high Curie temperature (between 696 K and 1082 K), high magnetic moments and high magnetic anisotropy energies. These features make (TiC)/(TaC) lateral heterostructures very suitable candidates for spintronic, photocatalysis, and data storage applications based upon 2D magnetic materials.

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PMID: 38681835 PMC: 11046379. DOI: 10.1039/d4ra01029a.

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