Energetics of ultrathin COSi2 film on a Si(001) surface

被引：2

作者：

Kang, BS ^{[1
]}

Oh, SK

Kang, HJ

Sohn, KS

机构：

[1] Chungbuk Natl Univ, Dept Phys, Inst Basic Sci, Cheongju 361763, South Korea

[2] Kyungpook Natl Univ, Dept Phys, Taegu 702701, South Korea

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2003年 / 15卷 / 02期

关键词：

D O I：

10.1088/0953-8984/15/2/307

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We present a first-principles study on the structural stability of Co silicide phases and their magnetic properties for 1-2 monolayers (ML) of Co deposited, on Si(001). The Co-Si interaction between the nearest neighbouring sites at the surface layer is strongly attractive. The formation of CoSi in the subsurface layer is energetically more favourable than that in a surface layer. The interdiffusion of a Co atom to the fourfold (tetrahedral) site is found to be energetically favourable. For surface alloy films of 1 and 2 ML Co on Si(001), there are no Co atoms at the surface due to the interdiffusion of Co atoms. The structural stability of the 'fourfold Si surface' model with the COSi2 phase is compared with that of the sixfold model. Our result for the surface and interface of a thin COSi2/Si(001) film is consistent with experimental and other theoretical data.

引用

页码：67 / 76

页数：10

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