DIFFUSION AND INTERCONVERSION OF DEFECT AD-DIMERS ON THE SI(001) 2X1 SURFACE - A MOLECULAR STATICS STUDY

被引：8

作者：

TOH, CP

ONG, CK

机构：

[1] Dept. of Phys., National Univ. of Singapore

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1993年 / 5卷 / 05期

关键词：

D O I：

10.1088/0953-8984/5/5/006

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We use a modified form of the Stillinger-Weber potential to obtain the binding energy and geometry of a number of Si ad-dimer structures on the fully relaxed Si(001) 2x1 surface by canonical Monte Carlo simulation. At low temperatures, we show the possible existence of two kinds of 'defect' ad-dimers which may hinder normal 1x2 growth. The mechanisms for both diffusion and interconversion of such dimers are then elucidated by examining their associated minimum-energy paths.

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页码：551 / 558

页数：8

相关论文

共 16 条

[1] BINDING AND DIFFUSION OF A SI ADATOM ON THE SI(100) SURFACE [J].

BROCKS, G ;

KELLY, PJ ;

CAR, R .

PHYSICAL REVIEW LETTERS, 1991, 66 (13) :1729-1732

[2] THE ENERGETICS OF ADATOMS ON THE SI(100) SURFACE [J].

BROCKS, G ;

KELLY, PJ ;

CAR, R .

SURFACE SCIENCE, 1992, 269 :860-866

[3] UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474

[4]

DIJKKAMP D, 1991, 3RD P NEC S FUND APP

[5] SIMULATING DIFFUSION ON SI(001) 2X1 SURFACES USING A MODIFIED INTERATOMIC POTENTIAL [J].

WANG, J ;

ROCKETT, A .

PHYSICAL REVIEW B, 1991, 43 (15) :12571-12579

[6]

LAGALLY MG, 1992, COMMUNICATION

[7] ABINITIO STUDY OF ELEMENTARY PROCESSES IN SILICON HOMOEPITAXY - ADSORPTION AND DIFFUSION ON SI(001) [J].

MIYAZAKI, T ;

HIRAMOTO, H ;

OKAZAKI, M .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 1990, 29 (07) :L1165-L1168

[8] ANISOTROPY IN SURFACE MIGRATION OF SI AND GE ON SI(001) [J].

MO, YW ;

LAGALLY, MG .

SURFACE SCIENCE, 1991, 248 (03) :313-320

[9] ACTIVATION-ENERGY FOR SURFACE-DIFFUSION OF SI ON SI(001) - A SCANNING-TUNNELING-MICROSCOPY STUDY [J].

MO, YW ;

KLEINER, J ;

WEBB, MB ;

LAGALLY, MG .

PHYSICAL REVIEW LETTERS, 1991, 66 (15) :1998-2001

[10] THE DYNAMICS OF SURFACE REARRANGEMENTS IN SI ADATOM DIFFUSION ON THE SI(100)(2X1) SURFACE [J].

SRIVASTAVA, D ;

GARRISON, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (09) :6885-6891