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RISS 인기검색어
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- 저자 : 김인기(In Gee Kim) (검색결과 3 건)
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구식 싱글턴 혼합기수 고속푸리에변환 코드에 대한 간단한 동적메모리 할당방법 프로그래밍
김인기(In Gee Kim) 한국자기학회 2012 韓國磁氣學會誌 Vol.22 No.2
We propose a simple prescription for resolving the general-N problem existing in the old-fashioned mixed-radix fast Fourier transformation FORTRAN subroutine by Singleton in 1968. After a brief investigation on the problem, we discuss our prescription with the worst case analysis within the dynamical allocation. The analysis reveals that our implementation is superior, at least for multi-variate data set, than previously proposed data copying methods.
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Fe-Al 전이금속 화합물의 자성과 결정구조의 상관관계에 대한 밀도범함수연구
윤원석(Won Seok Yun),김인기(In Gee Kim) 한국자기학회 2011 韓國磁氣學會誌 Vol.21 No.2
It is known that the Fe-Al transition metal compounds have a lot of disagreement about structural stability and magnetism. In this study, the correlation between magnetism and atomic structure of ordered B₂, L1₂, and D0₃ structured Fe-Al compounds has been investigated using the all-electron full-potential linearized augmented plane wave (FLAPW) method based on the generalized gradient approximation (GGA). We found that considered all the structures were calculated to be stabilized in a ferromagnetic state. The calculated spin magnetic moments of the Fe atoms for B2 and L1₂ structures were 0.771 and 2.373 μ<SUB>B</SUB>, respectively, and that of Fe(Ⅰ) and Fe(Ⅱ) in D0₃ structure calculated to be 2.409 μ<SUB>B</SUB>, 1.911 μ<SUB>B</SUB>, respectively. In order to investigate structural stability between L1₂ and D0₃ structures, we performed the formation enthalpy calculations. As a result, the D0₃ structure is found to be more favorable than L1₂ one by energy difference 16 meV/atom, which is well consistent with the experimental observation. We understood about structural stability and magnetism for Fe-Al compounds in terms of analysis of their atomic and electronic structures.
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스핀-궤도 상호작용을 고려한 Si 불순물이 BCC Fe의 자성에 미치는 영향에 대한 제일원리연구
Gul Rahman,김인기(In Gee Kim),장삼규(Sam Kyu Chang) 한국자기학회 2008 韓國磁氣學會誌 Vol.18 No.6
The effects of Si impurity on electronic structures and magnetism of bcc Fe are investigated by using a first-principles method by considering spin-orbit coupling. In order to describe the Si impurity, a 27 atomic bcc Fe supercell has been considered. The Kohn-Sham equation was solved in terms of the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). The effects of spin-orbit coupling were calculated self-consistently by considering spindiagonal terms based on second variation method. For the ferromagnetic (FM) state without considering SOC, the spin magnetic moment of the Si impurity was calculated to be ?0.143 μ<SUB>B</SUB>, while the magnetic moments of Fe atoms were calculated to be 2.214 μ<SUB>B</SUB>, 2.327 μ<SUB>B</SUB>, and 2.354 μ<SUB>B</SUB> in away from the Si atom, respectively. However, the FM state with considering SOC, the spin magnetic moment of the Si impurity was calculated to be ?0.144 μ<SUB>B</SUB>, which is not affected significantly by SOC, but the spin magnetic moments of Fe atoms were calculated 2.189 μ<SUB>B</SUB>, 2.310 μ<SUB>B</SUB>, and 2.325 μ<SUB>B</SUB>, respectively, which are much reduced value compared to those of the FM state without SOC. Comparing the total charge density and spin density, those features are thought to be originated by the screening distortions of the Fe t<SUB>2g</SUB> orbital, which can be obtained by considering SOC.
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