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Characterization of the Structural, Optical, and Dielectric Properties of Oxynitride Perovskites AMO2N (A = Ba, Sr, Ca; M = Ta, Nb)

✍ Scribed by Kim, Young-Il; Woodward, Patrick M.; Baba-Kishi, Karim Z.; Tai, Cheuk W.


Book ID
115520330
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
319 KB
Volume
16
Category
Article
ISSN
0897-4756

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## Abstract A series of perovskite‐type phases of alkaline‐earth‐based tantalum and niobium oxynitrides has been studied using both first‐principles electronic‐structure calculations and molecular‐dynamics simulations, in particular by investigating different structural arrangements and anion distr