Ab initio studies of magnetic and electronic properties of 2D XGeTe3 alloys, where X=Cr, Mn, Fe.

Ab initio studies of magnetic and electronic properties of 2D XGeTe3 alloys, where X=Cr, Mn, Fe.

This study presents a thorough investigation of the magnetic and electronic properties of XGeTe3 (X = Cr, Mn, Fe) monolayers and their random alloys, utilizing density functional theory (DFT) with PBE and PBESol functionals, supplemented by Hubbard U corrections. CrGeTe3 exhibits robust ferromagneti...

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Bibliographic Details
Main Author: Morocho Pogo, Luis David (author)
Format: bachelorThesis
Language:eng
Published: 2025
Subjects:
Teoría del Funcional de Densidad
Ferromagnetismo
Aleaciones aleatorias
Density-functional theory
Ferromagnetism
Random alloys
Online Access:http://repositorio.yachaytech.edu.ec/handle/123456789/891
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http://repositorio.yachaytech.edu.ec/handle/123456789/891

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