First principles study of structure, electronic and optical properties of Y3Fe5O12 in cubic and trigonal phases

First principles study of structure, electronic and optical properties of Y3Fe5O12 in cubic and trigonal phases

First principles calculations have been performed to investigate the structure, electronic and optical properties of Y3Fe5O12. Both the cubic and trigonal phases have been considered in our calculation. The calculated structural parameters are slightly larger than the experimental values. The band s...

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Bibliographic Details
Main Authors: Tao Shen, Chao Hu, Hailong Dai, Wenlong Yang, Hongchen Liu, Xinlao Wei
Format: Article
Language:English
Published: Sciendo 2015-03-01
Series:Materials Science-Poland
Subjects:
y3fe5o12
first principles
electronic structure
optical properties
Online Access:https://doi.org/10.1515/msp-2015-0015

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