CALCULATION OF PHONON-PHONON INTERACTIONS AND 2-PHONON BOUND-STATES ON THE SI(111)-H SURFACE

被引：55

作者：

LI, XP

VANDERBILT, D

机构：

[1] Department of Physics and Astronomy, Rutgers University, Piscataway

来源：

PHYSICAL REVIEW LETTERS | 1992年 / 69卷 / 17期

关键词：

D O I：

10.1103/PhysRevLett.69.2543

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The Si(111):H surface is studied within the framework of density-functional theory using the local-density approximation. In particular, the Si-H stretch mode is investigated in detail. The phonon-phonon interaction strength is found to be 2GAMMA = -76.6 cm-1 and the phonon bandwidth to be 7.2 cm-1. Two-phonon bound states are found to exist with a binding energy of 86.4 cm-1, in excellent agreement with the recent experimental result of 90 cm-1.

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页码：2543 / 2546

页数：4

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