Theoretical Investigation on Electronic and Magnetic Structures of FeRh
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- Takahashi Hidekazu
- Graduate School of Pure and Applied Sciences,University of Tsukuba
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- Araidai Masaaki
- Institute of Materials and Systems for Sustainability
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- Okada Susumu
- Graduate School of Pure and Applied Sciences,University of Tsukuba
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- Shiraishi Kenji
- Institute of Materials and Systems for Sustainability
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Abstract
In order to clarify the mechanism behind antiferromagnetic (AFM)-ferromagnetic (FM) phase transition, we investigate the electronic and magnetic structures of FeRh by using first principles calculations with the GGA + U method. By choosing the appropriate values of the on-site Coulomb interaction (U) of Fe3d and Rh4d electrons, we succeed in explaining the reported AFM-FM phase transition experiments for the first time by obtaining the total energy difference between the AFM and FM states (ΔE). Other physical quantities such as the density of states (DOS) are also consistent with experimental reports.
Journal
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- Journal of the Magnetics Society of Japan
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Journal of the Magnetics Society of Japan 40 (4), 77-80, 2016
The Magnetics Society of Japan
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Keywords
Details 詳細情報について
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- CRID
- 1390001205286418432
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- NII Article ID
- 130005161674
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- NII Book ID
- AA12749208
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- ISSN
- 24320250
- 18822932
- 18822924
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- NDL BIB ID
- 027511992
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- Text Lang
- en
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- Abstract License Flag
- Disallowed