Atomic-scale simulations of early stage of oxidation of vicinal Si(001) surfaces using a reactive force-field potentials

Kyung Han Yun; Yubin Hwang; Heechae Choi; Eung Kwan Lee; Geunsup Yoon; Byung Hyun Kim; Yong Chae Chung

doi:10.1143/JJAP.50.10PF01

Atomic-scale simulations of early stage of oxidation of vicinal Si(001) surfaces using a reactive force-field potentials

Kyung Han Yun^*, Yubin Hwang, Heechae Choi, Eung Kwan Lee, Geunsup Yoon, Byung Hyun Kim, Yong Chae Chung

^*Corresponding author for this work

Hanyang University

Research output: Contribution to journal › Article › peer-review

Abstract

The early stages of the oxidation process on vicinal Si(001) surfaces were studied at the atomic scale using reactive-force field-based molecular dynamics simulations. Oxygen molecules at step edges on the vicinal Si(001) surface showed higher reactivity than those on flat terraces. In macroscopic simulations of oxidation on vicinal Si(001) surfaces with different miscut angles (0°, 5.5°, 10.5°), we found that the initiation of oxidation with higher miscut angles was earlier than with lower angles. These results clearly show that a high density of step edges on the vicinal Si surface accelerates the initial oxidation.

Original language	English
Journal	Japanese Journal of Applied Physics
Volume	50
Issue number	10 PART 2
DOIs	https://doi.org/10.1143/JJAP.50.10PF01
Publication status	Published - Oct 2011
Externally published	Yes

Access to Document

10.1143/JJAP.50.10PF01

Cite this

@article{e521c55fd1254616894458c3078fe0bc,

title = "Atomic-scale simulations of early stage of oxidation of vicinal Si(001) surfaces using a reactive force-field potentials",

abstract = "The early stages of the oxidation process on vicinal Si(001) surfaces were studied at the atomic scale using reactive-force field-based molecular dynamics simulations. Oxygen molecules at step edges on the vicinal Si(001) surface showed higher reactivity than those on flat terraces. In macroscopic simulations of oxidation on vicinal Si(001) surfaces with different miscut angles (0°, 5.5°, 10.5°), we found that the initiation of oxidation with higher miscut angles was earlier than with lower angles. These results clearly show that a high density of step edges on the vicinal Si surface accelerates the initial oxidation.",

author = "Yun, {Kyung Han} and Yubin Hwang and Heechae Choi and Lee, {Eung Kwan} and Geunsup Yoon and Kim, {Byung Hyun} and Chung, {Yong Chae}",

year = "2011",

month = oct,

doi = "10.1143/JJAP.50.10PF01",

language = "English",

volume = "50",

journal = "Japanese Journal of Applied Physics",

issn = "0021-4922",

number = "10 PART 2",

}

TY - JOUR

T1 - Atomic-scale simulations of early stage of oxidation of vicinal Si(001) surfaces using a reactive force-field potentials

AU - Yun, Kyung Han

AU - Hwang, Yubin

AU - Choi, Heechae

AU - Lee, Eung Kwan

AU - Yoon, Geunsup

AU - Kim, Byung Hyun

AU - Chung, Yong Chae

PY - 2011/10

Y1 - 2011/10

N2 - The early stages of the oxidation process on vicinal Si(001) surfaces were studied at the atomic scale using reactive-force field-based molecular dynamics simulations. Oxygen molecules at step edges on the vicinal Si(001) surface showed higher reactivity than those on flat terraces. In macroscopic simulations of oxidation on vicinal Si(001) surfaces with different miscut angles (0°, 5.5°, 10.5°), we found that the initiation of oxidation with higher miscut angles was earlier than with lower angles. These results clearly show that a high density of step edges on the vicinal Si surface accelerates the initial oxidation.

AB - The early stages of the oxidation process on vicinal Si(001) surfaces were studied at the atomic scale using reactive-force field-based molecular dynamics simulations. Oxygen molecules at step edges on the vicinal Si(001) surface showed higher reactivity than those on flat terraces. In macroscopic simulations of oxidation on vicinal Si(001) surfaces with different miscut angles (0°, 5.5°, 10.5°), we found that the initiation of oxidation with higher miscut angles was earlier than with lower angles. These results clearly show that a high density of step edges on the vicinal Si surface accelerates the initial oxidation.

UR - http://www.scopus.com/inward/record.url?scp=80054904028&partnerID=8YFLogxK

U2 - 10.1143/JJAP.50.10PF01

DO - 10.1143/JJAP.50.10PF01

M3 - Article

AN - SCOPUS:80054904028

SN - 0021-4922

VL - 50

JO - Japanese Journal of Applied Physics

JF - Japanese Journal of Applied Physics

IS - 10 PART 2

ER -

Atomic-scale simulations of early stage of oxidation of vicinal Si(001) surfaces using a reactive force-field potentials

Abstract

Access to Document

Other files and links

Fingerprint

Cite this