Heusler 화합물과 Zinc-blende 구조를 가지는 반쪽금속으로 이루어진 초격자의 전자구조와 자성

다국어 초록 (Multilingual Abstract)

The electronic structure and magnetism of superlattice systems consisted of Heusler compound Co₂MnSi (CMS) and zinc-blende MnAs (MA) are investigated by means of the all-electron full potential linearized augmented plane wave method within the generalized gradient approximation. Four superlattice systems are considered, that is CMS(m)/MA(n), where m and n, being either 2 or 4, denote the number of alternatingly arrayed layers of the compounds in a superlattice along [001] direction. From the calculated total magnetic moments as well as the total density of states, it is found that neither of the four systems is half-metallic. It is also found that the Mn atoms are antiferromagnetically coupled in the systems of CMS2/MA2 and CMS2/MA4. The total and atom-resolved density of states of the four superlattices are compared with those of the bulk Co₂MnSi and MnAs, and the influences of the change in the systems symmetry on the magnetism and half-metallicity are discussed.

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