@misc{10481/95482,
year = {2023},
month = {6},
url = {https://hdl.handle.net/10481/95482},
abstract = {Two-dimensional (2D) lateral heterostructures (LH) combining Ti2C and Ta2C MXenes were investigated by
means of first-principles calculations. Our structural and elastic properties calculations show that the lateral
Ti2C/Ta2C heterostructure results in a 2D material that is stronger than the original isolated MXenes and
other 2D monolayers such as germanene or MoS2. 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 (Ti2C)/(Ta2C) lateral
heterostructures very suitable candidates for spintronic, photocatalysis, and data storage applications
based upon 2D magnetic materials.},
organization = {Programa
Operativo FEDER B.FQM.272.UGR20 and AEI under project
PID2021-125604NB-I00},
organization = {Junta de Andalucía under the Programa
Operativo FEDER P18-FR-4834},
organization = {University of Granada and TUBITAK ULAKBIM, High
Performance and Grid Computing Center (TRUBA resources)},
publisher = {Royal Society of Chemistry},
title = {MXene-based Ti2C/Ta2C lateral heterostructure: an intrinsic room temperature ferromagnetic material with large magnetic anisotropy†},
doi = {10.1039/D3RA03343K},
author = {Özcan, Sibel and Biel Ruiz, Blanca},
}