The dynamics of plasma-surface interaction
Gou, F.
Citation
Gou, F. (2007, February 28). The dynamics of plasma-surface interaction. Retrieved from https://hdl.handle.net/1887/11007
Version: Corrected Publisher’s Version
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The Dynamics of Plasma Surface Interaction
Proefschrift
ter verkrijging van
de graad van Doctor aan de Universiteit Leiden, op gezag van de Rector Magnificus Dr. P.F. van der Heijden,
hoogleraar in de faculteit der W iskunde en Natuurwetenschappen en die der Geneeskunde,
volgens besluit van het College voor Promoties te verdedigen op woensdag 28 Februari 2007
klokke 16.15 uur
door
F. Gou
geboren te Sichuan, China in 1969
Promotiecommissie
Promotoren: Prof. Dr. A. W. Kleyn Co-promotor Dr. M. Gleeson
Referent: Prof. Dr. W. Goedheer
Overige leden: Prof. Dr. Prof. M.T.M. Koper Prof. Dr. Prof. M. van Hemert Prof. Dr. Prof. J. Brouwer Dr. Roar A. Olsen
2
CONTENTS
1 Introduction………..………1
2 A new time-of-flight instrument capable of in-situ and real time studies of plasma-treated surfaces 2.1 Introduction...5
2.2 In-situ spectrometer system...6
2.3 Experimentalresults...9
2.3.1 Ar+scattering atgrazing Si(100)………...…………9
2.3.2 Ar+scattering and recoiling from contaminated Si(100)..…...…...10
2.3.3 Ar+scattering from rough Si(100)....……….11
2.4. Conclusion...………...12
3 3keV Ar+ scattering from unreconstructed Si(100) at grazing incidence: molecular dynamics simulation 3.1 Introduction.……….…………..….………..………….……13
3.2 Description of the simulation..………..………...…………...……...14
3.3 Results and discussion…….…..……..……..……..….……..…...……..16
3.3.1 Trajectory analysis………...………...……..…...16
3.3.2 Angular and energy distribution…...…...21
3.4 Conclusion.………...……….....25
4 M D simulation of Ar scattering from defected Si (100) at grazing incidence 4.1 Introduction...……….…………...….………….……...…..…………..29
4.2 Description of the simulation.……….……..…….….……….………..…..30
4.3 Results and discussion.………...…31
4.4 Conclusion……….….36
5 Theoretical modeling of energy redistribution and stereodynamics in CFscattering from Si(100) under grazing incidence 5.1. Introduction………..………...….……...………39
5.2. Description of the molecular dynamics simulation………...…………41
5.3 Results and discussion……….…………43
5.3.1. Energy loss distribution and degree of dissociation……..………43
2
5.3.2. Redistribution of internal energy………..……….………50
5.3.3. Stereodynamics……….……….………56
5.4. Conclusion………..……….…59
6 CF interaction with Si (100)-(2x1): Molecular Dynamics Simulation 6.1 Introduction…………61
6.2 Computational details………...………..………62
6.3 Results…………63
6.4 Discussion ……….………..………….73
6.5 Conclusion………..………75
7 Molecular dynamics simulation of CH3 interaction with Si (100) surface 7.1 Introduction……….……….…...…….……….…77
7.2 Description of molecular dynamics model………...……….…78
7.3 Results and discussion……...………..…….78
7.4 Conclusion………...………...…..83
8 General discussion 8.1 Introduction………........87
8.2 M olecular dynamics method.………..…88
8.2.1 Expressions of the molecular dynamics………...…89
8.2.2 Sample preparation……….....………90
8.2.3 Temperature control………...……....91
8.2.3.1 Berendsen heat bath………..………...92
8.2.3.2 Application time………..……….....93
8.2.3.3 Rising time………..……….93
8.2.4 Relaxation time………..………...94
8.2.5 Time step and integration time……….………94
8.2.6 Cell size effect………..………97
8.3 Surface temperature effect………..99
8.4 Discussion……….102
8.5 Conclusion………105
