Investigate the electrical structure, optical character-characteristics, and phonon transport of the rock-salt (RS) CrTe monolayer using first-principles methods.

Density functional theory (DFT)-based first-principles computations are utilized to examine the phonon Boltzmann transport as well as the structural, electrical, and optical characteristics of the (RS) CrTe monolayer. The results demonstrated that the half-metal property is present in the (RS) CrTe...

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Publicado en:	Journal of Basrah Researches (Sciences) Vol. 49; no. 1; pp. 56 - 66
Autores principales:	Nasser, Ali A., AL-Zyadi, Jabbar M.
Formato:	Artículo
Publicado:	Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR) 2023
Materias:	Monomolecular films Density functional theory Phonons Conduction bands Fermi level Band gaps Phonon scattering
Acceso en línea:	Ver este registro en EBSCOhost