Ab initio calculation of phonons in semiconductor surfaces

被引：7

作者：

Eckl, C ^{[1
]}

Honke, R ^{[1
]}

Fritsch, J ^{[1
]}

Pavone, P ^{[1
]}

Schroder, U ^{[1
]}

机构：

[1] Univ Regensburg, Inst Theoret Phys, D-93040 Regensburg, Germany

来源：

ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER | 1997年 / 104卷 / 04期

关键词：

D O I：

10.1007/s002570050514

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The plane-wave pseudopotential approach to the density-functional theory together with the slab supercell method has been applied to determine the structural and dynamical properties of semiconductor surfaces. We compare the atomic equilibrium geometry and the phonon dispersion curves for the (110) surfaces of several III-V-compounds and investigate their hydrogen covered surfaces. Moreover, we discuss the systems Si(111):H-(1x1) and Si(111):Ga-(root 3 x root 3)R30 degrees. Our results are in good agreement with all available experimental data.

引用

页码：715 / 720

页数：6

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