Hydrogen-bonded array of NH2 on the Si(100) surface

被引：27

作者：

Cho, JH ^{[1
]}

Kim, KS ^{[1
]}

机构：

[1] Pohang Univ Sci & Technol, Dept Chem, Ctr Superfunct Mat, Pohang 790784, South Korea

来源：

PHYSICAL REVIEW B | 2000年 / 62卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.62.1607

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The atomic and electronic structures of the dissociative adsorption of ammonia on the Si(100)-(2x1) surface are studied by first-principles calculations. We find that the hydrogen-bonding interactions between the dissociated NH2 species favor the "gauche'' model over the existing models. This strong attractive force can form a one-dimensional hydrogen-bonded array of NH2 along the Si dimer row. Our analysis identifies three NH2-derived electronic states, composed of one delocalized state along the dimer row and two localized molecular orbitals.

引用

页码：1607 / 1610

页数：4

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