Theoretical calculation of the optical properties of Y3Fe5O12

被引：30

作者：

Ching, WY ^{[1
]}

Gu, ZQ ^{[1
]}

Xu, YN ^{[1
]}

机构：

[1] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA

来源：

JOURNAL OF APPLIED PHYSICS | 2001年 / 89卷 / 11期

关键词：

D O I：

10.1063/1.1357837

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The electronic structure and the optical properties of Y3Fe5O12 crystal are calculated using the local spin density approximation + U approach. The intra-atomic correlation effect of the Fe 3d electrons is shown to be important in describing the insulating nature of the crystal. With a choice of the parameters U = 3.5 eV and J = 0.8 eV in the model Hamiltonian, a gap of 2.66 eV is obtained and a significant lowering of the occupied potion of the Fe 3d states is observed. The calculated optical absorption in the range 3-6 eV is from the bulk O 2p to the Fe 3d band states. The calculated spin magnetic moments are in good agreement with experiment. (C) 2001 American Institute of Physics.

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收藏

页码：6883 / 6885

页数：3

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