Fully relaxed magnetic structure of transition metal nanowires: First-principles calculations

被引：14

作者：

Czerner, Michael ^{[1
]}

Yavorsky, Bogdan Yu. ^{[1
]}

Mertig, Ingrid ^{[1
]}

机构：

[1] Univ Halle Wittenberg, Nat Wissensch Fak Chem & Phys 2, D-06099 Halle, Germany

来源：

PHYSICAL REVIEW B | 2008年 / 77卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.77.104411

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present fully relaxed magnetic structures of domain walls in magnetic transition metal nanocontacts (Ni, Co, and Fe) calculated from first principles. The domain wall is pinned in a monatomic nanowire, which is suspended between two semi-infinite leads. We show that the magnetization profile of the domain wall differs from the known Bloch and Neel walls. In particular, a "separation angle" between the directions of the moments of the outermost atoms and a clustering of the inner moments is observed. In addition, we calculate the conductance using the Landauer approach generalized to noncollinear magnetic structures. It is shown that the noncollinear magnetic order has considerable effect on the transport properties of the nanowires.

引用

页数：5

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