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

被引：54
|
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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