First Principles Study on the Effect of Pressure on the Structure, Elasticity, and Magnetic Properties of Cubic GaFe(CN)<sub>6</sub> Prussian Blue Analogue

First Principles Study on the Effect of Pressure on the Structure, Elasticity, and Magnetic Properties of Cubic GaFe(CN)<sub>6</sub> Prussian Blue Analogue

The structure, elasticity, and magnetic properties of Prussian blue analogue GaFe(CN)<sub>6</sub> under external pressure ranges from 0 to 40 GPa were studied by first principles calculations. In the range of pressure from 0 to 35 GPa, GaFe(CN)<sub>6</sub> not only has the ha...

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Bibliographic Details
Main Authors: Chuankun Zhang, Haiming Huang, Shijun Luo
Format: Article
Language:English
Published: MDPI AG 2019-04-01
Series:Applied Sciences
Subjects:
half-metallic material
first principles
Prussian blue analogue
pressure
Online Access:https://www.mdpi.com/2076-3417/9/8/1607

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