FULL-POTENTIAL TOTAL-ENERGY INVESTIGATION ON THE LATTICE-RELAXATION AT THE 2 TYPES OF NISI2/SI(111) INTERFACE

被引：3

作者：

FUJITANI, H ^{[1
]}

ASANO, S ^{[1
]}

机构：

[1] UNIV TOKYO,COLL ARTS & SCI,INST PHYS,MEGURO KU,TOKYO 153,JAPAN

来源：

PHYSICAL REVIEW B | 1995年 / 51卷 / 24期

关键词：

D O I：

10.1103/PhysRevB.51.18019

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We examined the lattice relaxation at the two types of the NiSi2/Si(111) interface using total-energy calculations by the full-potential linear-augmented-plane-wave method. Our calculations show that the distance of the interfacial Ni plane and the Si(111) surface diffraction plane contracts by 0.05 in both type interfaces. This is considerably less than the result obtained by Li and Rabii from their interface dynamics calculations with smooth pseudopotentials [Phys. Rev. B 49, 2927 (1994)]. © 1995 The American Physical Society.

引用

页码：18019 / 18021

页数：3

共 16 条

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