Modeling of epitaxial film growth of C60 revisited
- Publikationstyp:
- Zeitschriftenaufsatz
- Metadaten:
-
- Autoren
- William Janke
- Thomas Speck
- Autoren-URL
- https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000522160500006&DestLinkType=FullRecord&DestApp=WOS_CPL
- DOI
- 10.1103/PhysRevB.101.125427
- eISSN
- 2469-9969
- Externe Identifier
- Clarivate Analytics Document Solution ID: KX8XW
- ISSN
- 2469-9950
- Ausgabe der Veröffentlichung
- 12
- Zeitschrift
- PHYSICAL REVIEW B
- Artikelnummer
- ARTN 125427
- Datum der Veröffentlichung
- 2020
- Status
- Published
- Titel
- Modeling of epitaxial film growth of C<sub>60</sub> revisited
- Sub types
- Article
- Ausgabe der Zeitschrift
- 101
Datenquelle: Web of Science (Lite)
- Andere Metadatenquellen:
-
- Autoren
- William Janke
- Thomas Speck
- DOI
- 10.1103/physrevb.101.125427
- eISSN
- 2469-9969
- ISSN
- 2469-9950
- Ausgabe der Veröffentlichung
- 12
- Zeitschrift
- Physical Review B
- Sprache
- en
- Artikelnummer
- 125427
- Online publication date
- 2020
- Status
- Published online
- Herausgeber
- American Physical Society (APS)
- Herausgeber URL
- http://dx.doi.org/10.1103/physrevb.101.125427
- Datum der Datenerfassung
- 2020
- Titel
- Modeling of epitaxial film growth of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">C</mml:mi><mml:mn>60</mml:mn></mml:msub></mml:math> revisited
- Ausgabe der Zeitschrift
- 101
Datenquelle: Crossref
- Abstract
- Epitaxial films evolve on time and length scales that are inaccessible to atomistic computer simulation methods like molecular dynamics (MD). To numerically predict properties for such systems, a common strategy is to employ kinetic Monte Carlo (KMC) simulations, for which one needs to know the transition rates of the involved elementary steps. The main challenge is thus to formulate a consistent model for the set of transition rates and to determine its parameters. Here we revisit a well-studied model system, the epitaxial film growth of the fullerene C$_{60}$ on an ordered C$_{60}$ substrate(111). We implement a systematic multiscale approach in which we determine transition rates through MD simulations of specifically designed initial configurations. These rates follow Arrhenius' law, from which we extract energy barriers and attempt rates. We discuss the issue of detailed balance for the resulting rates. Finally, we study the morphology of subatomic and multilayer film growth and compare simulation results to experiments. Our model enables further studies on multi-layer growth processes of C$_{60}$ on other substrates.
- Autoren
- William Janke
- Thomas Speck
- Autoren-URL
- http://arxiv.org/abs/2003.01660v1
- Zeitschrift
- Phys. Rev. B
- Schlüsselwörter
- cond-mat.mtrl-sci
- cond-mat.mtrl-sci
- cond-mat.mes-hall
- physics.comp-ph
- Paginierung
- 125427
- Datum der Veröffentlichung
- 2020
- Herausgeber URL
- http://dx.doi.org/10.1103/PhysRevB.101.125427
- Datum der Datenerfassung
- 2020
- Datum, an dem der Datensatz öffentlich gemacht wurde
- 2020
- Titel
- Modeling epitaxial film growth of C$_{60}$ revisited
- Ausgabe der Zeitschrift
- 101
Files
2003.01660v1.pdf
Datenquelle: arXiv
- Beziehungen:
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