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논문 기본 정보
- 자료유형
- 학술저널
- 저자정보
- 발행연도
- 2002.12
- 수록면
- 132 - 137 (6page)
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초록· 키워드
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The electronic structures and magnetism of the non-oxide perovskite MgCFe₃(001) surface were investigated by using the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). We considered both of the MgFe terminated (MgFe-Term) and the CFe terminated (CFe-Term) surfaces. We found that the minority spin d-bands of Fe(S) of the MgFe-Term are strongly localized and Fermi level (E_F) lies just below the sharp peak of the minority spin d-band of Fe(S), while the minority spin d-bands of Fe(S) of the CFe-Term are not localized much and Fermi level (E_F) lies in the middle of two peaks of the minority spins. The majority Fe(S) d-band width of MgFe-Term is narrower than that of the CFe-Term. It is found that the magnetic moment of Fe(S) of the MgFe-Term is 2.51 μ_B, which is much larger than that of 1.97 μ_B of the CFe-Term.
목차
Abstract
1. Introduction
2. Calculational Methods
3. Results and Discussions
4. Summary
Acknowledgments
References
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UCI(KEPA) : I410-ECN-0101-2009-428-015148566