Theoretical Study on Optical Properties of Y3Fe5O12 and CexY3-xFe5O12

来源 :The 5th International Congress on Ceramics, ICC5(第五届国际陶瓷大会) | 被引量 : 0次 | 上传用户:kldzn2004
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  We report a first principle study of the dielectric constants and optic absorption spectra of yttrium iron garnet(Y3Fe5O12)(YIG)and Ce-substituted iron garnet(CexY3-xFe5O12)(Ce:YIG)(x=0.5,1.0)have been presented from the framework of density functional theory(DFT)with Hubbard-U corrections.With a choice of the parameters Ueff=U-J=4.5eV for Fe and U=3.5eV for Ce respectively,the calculation results are in good agreement with experiments for photon energy ranging from 0 to 6 eV.
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