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논문 기본 정보
- 자료유형
- 학술저널
- 저자정보
- 발행연도
- 2008.12
- 수록면
- 115 - 119 (5page)
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초록· 키워드
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The authors predicted that Co₂HfSi, a Co₂-based full Heusler alloy, is being a half-metallic ferromagnet by first-principles calculations using the all electron full-potential linearized augmented plane wave method which adopts the generalized gradient approximation. The integer value of the calculated total magnetic moment of 2.00 μ<SUB>B</SUB> per formula unit and a spin gap of 0.69 eV in spin down state confirmed the half-metallicity of bulk Co₂HfSi. For the Co₂HfSi(001) surface, we considered two possible surface terminations, namely, Co terminated and HfSi terminated surfaces. It was found that half-metallicity was retained at the HfSi-terminated surface but not at the Co-terminated surface. The magnetic moment of surface Co atoms in the Co-terminated surface was slightly lower than that of Co atoms in deep inner-layers, whereas the magnetic moments of Hf and Si atoms at the HfSi-terminated surface were almost same as those in deep inner-layers.
목차
1. Introduction
2. Calculation Method
3. Results and Discussions
4. Summary
Acknowledgments
References
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