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...

• Autor principal: Morocho Pogo, Luis David (author)
• Formato: bachelorThesis
• Idioma: eng
• Publicado em: 2025
• Assuntos: Teoría del Funcional de Densidad; Ferromagnetismo; Aleaciones aleatorias; Density-functional theory; Ferromagnetism; Random alloys
• Acesso em linha: http://repositorio.yachaytech.edu.ec/handle/123456789/891