Electronic structure of rare-earth erbium-doped platinum diselenide: A density functional theory study

• Published in: The Journal of physics and chemistry of solids Vol. 190; p. 112004
• Main Authors: Maleki-Ghaleh, Hossein, Moradpur-Tari, Ehsan, Shakiba, Mohammad, Paczesny, Jan, Hurley, Paul K., Siadati, M. Hossein, Ansari, Lida, Gity, Farzan
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.07.2024
• Subjects: Density functional theory; Electronic structure; Erbium; Platinum diselenide; Density functional theory; Electronic structure; Platinum diselenide; Erbium

The effect of rare-earth erbium (Er) doping on the electronic structure of platinum diselenide (PtSe2) as a 2D transition metal dichalcogenide was studied using density functional theory (DFT). Our DFT calculations showed that Er dopant in PtSe2 led to the formation of additional states in the valen...