Model potential for the dimer system on the Si(001) surface improved by a first-principles calculation and structural fluctuation studied by a Monte Carlo simulation

被引：6

作者：

Kawai, H ^{[1
]}

Miyata, R

Yoshimoto, Y

Tsukada, M

机构：

[1] Kyushu Univ, Fac Sci, Dept Phys, Fukuoka 8108560, Japan

[2] Kyushu Univ, Grad Sch Sci, Dept Chem & Phys Condensed Matter, Fukuoka 8108560, Japan

[3] Univ Tokyo, ISSP, Kashiwa, Chiba 2778581, Japan

[4] Univ Tokyo, Grad Sch Sci, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2003年 / 72卷 / 12期

关键词：

Si(001); Monte Carlo simulation; time resolving simulation; STM; TCHC STM;

D O I：

10.1143/JPSJ.72.3158

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The improved model potential of the dimer system on Si(001) surface is obtained based on the results of the first-principles calculation (FPC). The transition rates of the dimer flip-flop motion are obtained from the model potential. The time-resolving dynamical Monte Carlo simulations (TDMCS) on Si(001) surface at 70 K for the orientational arrangement are performed. The time series of the time-averaged local order parameter for c(4 x 2) structure are calculated from the results of TDMCS. The time series are shown to reproduce well the results of time-resolving constant-height current mode STM observed at 70 K. The improved model potential is confirmed to be well effective.

引用

页码：3158 / 3163

页数：6

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