Kinetic Monte Carlo simulation of the initial growth of Ag thin films

被引：16

作者：

Zhu, Y. G. ^{[1
]}

Wang, T. L. ^{[1
]}

机构：

[1] Dalian Univ Technol, Dept Engn Mech, State Key Lab Struct Anal Ind Equipment, Dalian 116024, Peoples R China

来源：

APPLIED SURFACE SCIENCE | 2015年 / 324卷

关键词：

Monte Carlo simulation; Ag Thin film growth; Island morphology; Energy function; TRANSITION; POLYCRYSTALLINE; DEPOSITION;

D O I：

10.1016/j.apsusc.2014.11.048

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A Monte Carlo model for simulation of the 3-Dimension growth of Ag thin film on the amorphous Si substrate is presented. Three principal dynamic processes for each atom are considered in the description of thin film growth: deposition, diffusion and re-evaporation. The diffusion activation energy calculated by many-body semiempirical potential is related to the positions of the atoms. It is equal to the energy difference between the total energy of the system before and after the diffusion. The influences of the substrate temperature and the deposition rate on the transitions of island morphologies in thin film growth at the initial stage have been studied in detailed. The results show that with the increase of the substrate temperature or the decrease of the deposition rate, the size of the island increases, and the number of islands decreases. There are two distinct stages captured by the model in island coalescence regime, which consistent with that of the experiment. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：831 / 836

页数：6

共 19 条

[11] Density-functional theory calculations of hopping rates of surface diffusion [J].

Ratsch, C ;

Scheffler, M .

PHYSICAL REVIEW B, 1998, 58 (19) :13163-13166

[12] COMPETING PROCESSES AND CONTROLLING ENERGIES AT THE AG/SI(111) INTERFACE [J].

RAYNERD, G ;

DOUST, TN ;

VENABLES, JA .

SURFACE SCIENCE, 1992, 261 (1-3) :251-266

[13] THERMODYNAMICAL AND STRUCTURAL-PROPERTIES OF FCC TRANSITION-METALS USING A SIMPLE TIGHT-BINDING MODEL [J].

ROSATO, V ;

GUILLOPE, M ;

LEGRAND, B .

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1989, 59 (02) :321-336

[14] Energetics of fcc and decahedral nanowires of Ag, Cu, Ni, and C60:: A quenched molecular dynamics study -: art. no. 115426 [J].

Tommei, GE ;

Baletto, F ;

Ferrando, R ;

Spadacini, R ;

Danani, A .

PHYSICAL REVIEW B, 2004, 69 (11)

[15] DIFFUSION-LIMITED AGGREGATION, A KINETIC CRITICAL PHENOMENON [J].

WITTEN, TA ;

SANDER, LM .

PHYSICAL REVIEW LETTERS, 1981, 47 (19) :1400-1403

[16]

Wu F.M., 2001, COMMUN NONLINEAR SCI, V6, P61

[17] Surface morphology evolution during sputter deposition of thin films - lattice Monte Carlo simulations [J].

Zepeda-Ruiz, Luis A. ;

Gilmer, George H. ;

Walton, Christopher C. ;

Hamza, Alex V. ;

Chason, Eric .

JOURNAL OF CRYSTAL GROWTH, 2010, 312 (08) :1183-1187

[18] The initial stages of Ag/Ag(100) homoepitaxy: Scanning tunneling microscopy experiments and Monte Carlo simulations [J].

Zhang, CM ;

Bartelt, MC ;

Wen, JM ;

Jenks, CJ ;

Evans, JW ;

Thiel, PA .

JOURNAL OF CRYSTAL GROWTH, 1997, 174 (1-4) :851-857

[19] Kinetic Monte Carlo Simulations of Submonolayer Growth of NiTi Alloy Thin Films [J].

Zhu, Y. G. ;

Rong, H. B. .

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2010, 7 (08) :1469-1474

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