A molecular dynamics study of the deposition and the diffusion behaviors of Al on a Cu surface

S. P. Kim, K. R. Lee, Y. C. Chung, Young-geun Kim, M. Doi, M. Sahashi

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The deposition and the diffusion behaviors of Al atoms on Cu surfaces of various orientations were investigated by using classical molecular dynamics simulations and molecular static calculations. Al atoms with a kinetic energy of 0.1 eV were deposited at room temperature. On the Cu(001) surface, the deposited Al atoms tend to agglomerate only with adjacent atoms. In the case of the Cu(111) surface, surface diffusion of Al atoms is significant even as a time scale between two consecutive depositions (5 ps). Most deposited atoms are, thus, agglomerated near the surface step. In contrast, Al atoms deposited on Cu(011) hardly diffuse on the surfaces but intermix with the Cu atoms, resulting in an atomistically rough interface. These behaviors are consistent with changes in the activation barrier for a possible kinetic process that depends on the orientation of the substrate.

Original languageEnglish
Pages (from-to)1241-1245
Number of pages5
JournalJournal of the Korean Physical Society
Volume52
Issue number4 PART 1
Publication statusPublished - 2008 Apr 1

Fingerprint

molecular dynamics
atoms
surface diffusion
kinetic energy
activation
kinetics
room temperature
simulation

Keywords

  • Cu-Al
  • MD simulation
  • Surface diffusion
  • Thin film growth

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Kim, S. P., Lee, K. R., Chung, Y. C., Kim, Y., Doi, M., & Sahashi, M. (2008). A molecular dynamics study of the deposition and the diffusion behaviors of Al on a Cu surface. Journal of the Korean Physical Society, 52(4 PART 1), 1241-1245.

A molecular dynamics study of the deposition and the diffusion behaviors of Al on a Cu surface. / Kim, S. P.; Lee, K. R.; Chung, Y. C.; Kim, Young-geun; Doi, M.; Sahashi, M.

In: Journal of the Korean Physical Society, Vol. 52, No. 4 PART 1, 01.04.2008, p. 1241-1245.

Research output: Contribution to journalArticle

Kim, SP, Lee, KR, Chung, YC, Kim, Y, Doi, M & Sahashi, M 2008, 'A molecular dynamics study of the deposition and the diffusion behaviors of Al on a Cu surface', Journal of the Korean Physical Society, vol. 52, no. 4 PART 1, pp. 1241-1245.
Kim, S. P. ; Lee, K. R. ; Chung, Y. C. ; Kim, Young-geun ; Doi, M. ; Sahashi, M. / A molecular dynamics study of the deposition and the diffusion behaviors of Al on a Cu surface. In: Journal of the Korean Physical Society. 2008 ; Vol. 52, No. 4 PART 1. pp. 1241-1245.
@article{93d8a5e40bf14df78a6daa0139d31490,
title = "A molecular dynamics study of the deposition and the diffusion behaviors of Al on a Cu surface",
abstract = "The deposition and the diffusion behaviors of Al atoms on Cu surfaces of various orientations were investigated by using classical molecular dynamics simulations and molecular static calculations. Al atoms with a kinetic energy of 0.1 eV were deposited at room temperature. On the Cu(001) surface, the deposited Al atoms tend to agglomerate only with adjacent atoms. In the case of the Cu(111) surface, surface diffusion of Al atoms is significant even as a time scale between two consecutive depositions (5 ps). Most deposited atoms are, thus, agglomerated near the surface step. In contrast, Al atoms deposited on Cu(011) hardly diffuse on the surfaces but intermix with the Cu atoms, resulting in an atomistically rough interface. These behaviors are consistent with changes in the activation barrier for a possible kinetic process that depends on the orientation of the substrate.",
keywords = "Cu-Al, MD simulation, Surface diffusion, Thin film growth",
author = "Kim, {S. P.} and Lee, {K. R.} and Chung, {Y. C.} and Young-geun Kim and M. Doi and M. Sahashi",
year = "2008",
month = "4",
day = "1",
language = "English",
volume = "52",
pages = "1241--1245",
journal = "Journal of the Korean Physical Society",
issn = "0374-4884",
publisher = "Korean Physical Society",
number = "4 PART 1",

}

TY - JOUR

T1 - A molecular dynamics study of the deposition and the diffusion behaviors of Al on a Cu surface

AU - Kim, S. P.

AU - Lee, K. R.

AU - Chung, Y. C.

AU - Kim, Young-geun

AU - Doi, M.

AU - Sahashi, M.

PY - 2008/4/1

Y1 - 2008/4/1

N2 - The deposition and the diffusion behaviors of Al atoms on Cu surfaces of various orientations were investigated by using classical molecular dynamics simulations and molecular static calculations. Al atoms with a kinetic energy of 0.1 eV were deposited at room temperature. On the Cu(001) surface, the deposited Al atoms tend to agglomerate only with adjacent atoms. In the case of the Cu(111) surface, surface diffusion of Al atoms is significant even as a time scale between two consecutive depositions (5 ps). Most deposited atoms are, thus, agglomerated near the surface step. In contrast, Al atoms deposited on Cu(011) hardly diffuse on the surfaces but intermix with the Cu atoms, resulting in an atomistically rough interface. These behaviors are consistent with changes in the activation barrier for a possible kinetic process that depends on the orientation of the substrate.

AB - The deposition and the diffusion behaviors of Al atoms on Cu surfaces of various orientations were investigated by using classical molecular dynamics simulations and molecular static calculations. Al atoms with a kinetic energy of 0.1 eV were deposited at room temperature. On the Cu(001) surface, the deposited Al atoms tend to agglomerate only with adjacent atoms. In the case of the Cu(111) surface, surface diffusion of Al atoms is significant even as a time scale between two consecutive depositions (5 ps). Most deposited atoms are, thus, agglomerated near the surface step. In contrast, Al atoms deposited on Cu(011) hardly diffuse on the surfaces but intermix with the Cu atoms, resulting in an atomistically rough interface. These behaviors are consistent with changes in the activation barrier for a possible kinetic process that depends on the orientation of the substrate.

KW - Cu-Al

KW - MD simulation

KW - Surface diffusion

KW - Thin film growth

UR - http://www.scopus.com/inward/record.url?scp=43149118804&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=43149118804&partnerID=8YFLogxK

M3 - Article

VL - 52

SP - 1241

EP - 1245

JO - Journal of the Korean Physical Society

JF - Journal of the Korean Physical Society

SN - 0374-4884

IS - 4 PART 1

ER -