AB-INITIO CALCULATION OF SURFACE PHONONS IN GAAS(110)

被引：58

作者：

FRITSCH, J

PAVONE, P

SCHRODER, U

机构：

[1] Institut für Theoretische Physik, Universität Regensburg, D-93040 Regensburg

来源：

PHYSICAL REVIEW LETTERS | 1993年 / 71卷 / 25期

关键词：

D O I：

10.1103/PhysRevLett.71.4194

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have investigated the dynamics of the relaxed GaAs(110) surface using an ab initio linear-response approach in the framework of density-functional theory. The relaxation geometry was found by minimizing the total energy with the help of the Hellmann-Feynman forces. In terms of the electronic ground-state properties we have calculated the full phonon dispersion of GaAs(110) along high symmetry lines of the surface Brillouin zone by means of a self-consistent first-order perturbation scheme without any adjustable parameters. Our results axe in excellent agreement with all available experimental data.

引用

页码：4194 / 4197

页数：4

共 29 条

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