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Electronic Structures and Magnetism of the MgCFe3(001) Surface
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  • Electronic Structures and Magnetism of the MgCFe3(001) Surface
  • Electronic Structures and Magnetism of the MgCFe3(001) Surface
저자명
Jin. Ying-Jiu,Kim. I. G.,Lee. J. I.
간행물명
Journal of magnetics
권/호정보
2002년|7권 4호|pp.132-137 (6 pages)
발행정보
한국자기학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

The electronic structures and magnetism of the non-oxide perovskite MgCFe$_3$(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 (EF) 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 ${mu}$$_B$, which is much larger than that of 1.97 ${mu}$$_B$ of the CFe-Term.