Spin-Dependent First-Principles Study on Optoelectronic Properties of Neodymium Zirconates Pyrochlores Nd₂Zr₂O₇ in Fd-3m and Pmma Phases

Rare-earth zirconate pyrochlores (RE₂Zr₂O₇) are of much fundamental and technological interest as optoelectronic, scintillator and thermal barrier coating materials. For the first time, we report the detailed optoelectronic properties of rare-earth zirconates Nd<sub>...

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Váldodahkkit:	Azhar Qayyum, Sikander Azam, Ali H. Reshak, Jehan Akbar, Zeesham Abbas, Haseen Ullah, Muhammad M. Ramli
Materiálatiipa:	Artigo
Giella:	Inglês
Almmustuhtton:	MDPI AG 2022-09-01
Ráidu:	Molecules
Fáttát:	zirconates pyrochlores density functional theory GGAU approximation electronic band structure optical properties
Liŋkkat:	https://www.mdpi.com/1420-3049/27/17/5711
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