Hydrogen-induced instability on the flat Si(001) surface via steric repulsion

被引：18

作者：

Reboredo, FA ^{[1
]}

Zhang, SB ^{[1
]}

Zunger, A ^{[1
]}

机构：

[1] Natl Renewable Energy Lab, Golden, CO 80401 USA

来源：

PHYSICAL REVIEW B | 2001年 / 63卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.63.125316

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The exposure of the miscut Si(001) surface to H gives rise to a rich sequence of stable step structures as a function of the H chemical potential. First-principles calculations of step-formation energies show that the formation of steps on the (2 x 1) reconstructed surface requires energy, but that on the (1 x 1) surface, steps form exothermically, This explains surface roughness at high H chemical potentials.

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页数：5

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