Theoretical Study of the Magnetic and Optical Properties of Ion-Doped LiMPO4 (M = Fe, Ni, Co, Mn)

Autor:	Iliana N. Apostolova, Angel T. Apostolov, Julia Mihailowa Wesselinowa
Jazyk:	angličtina
Rok vydání:	2024
Předmět:	LiMPO4 ion doping magnetization band gap microscopic model Technology Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
Zdroj:	Materials, Vol 17, Iss 9, p 1945 (2024)
Druh dokumentu:	article
ISSN:	1996-1944
DOI:	10.3390/ma17091945
Popis:	Using a microscopic model and Green’s function theory, we calculated the magnetization and band-gap energy in ion-doped LiMPO4 (LMPO), where M = Fe, Ni, Co, Mn. Ion doping, such as with Nb, Ti, or Al ions at the Li site, induces weak ferromagnetism in LiFePO4. Substituting Li with ions of a smaller radius, such as Nb, Ti, or Al, creates compressive strain, resulting in increased exchange interaction constants and a decreased band-gap energy, Eg, in the doped material. Notably, Nb ion doping at the Fe site leads to a more pronounced decrease in Eg compared to doping at the Li site, potentially enhancing conductivity. Similar trends in Eg reduction are observed across other LMPO4 compounds. Conversely, substituting ions with a larger ionic radius than Fe, such as Zn and Cd, causes an increase in Eg.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/5b39980f502848448a1bdd8d2fd05413 Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF Plný text ve formátu HTML
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