Effects of transition metals incorporated into perovskite crystals on the electronic structures and magnetic properties by first-principles calculation

Effects of transition metals incorporated into perovskite crystals on the electronic structures and magnetic properties by first-principles calculation

Additive effects of transition metals (M = Cr2+, Co2+, Cu2+ and Y3+) on the electronic structures and magnetic properties of formamidinium lead halide perovskite compounds (FAPbI3, where FA = NH2CHNH2+) were investigated by first-principle calculation using density functional theory. In the case of...

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Bibliographic Details
Main Authors:	Atsushi Suzuki, Takeo Oku
Format:	Article
Language:	English
Published:	Elsevier 2018-08-01
Series:	Heliyon
Subjects:	Theoretical chemistry
Online Access:	http://www.sciencedirect.com/science/article/pii/S2405844018307114

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