Correlation of structural and optical properties using virtual materials analysis

Pavel Moskovkin, Holger Badorreck, Morten Steinecke, Lars Jensen, Detlev Ristau, Marco Jupe, Jérôme Muller, Stéphane Lucas, Andreas Pflug, Lina Grinevičiūtė, Algirdas Selskis, Tomas Tolenis

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

Thin film growth of TiO2 by physical vapor deposition processes is simulated in the Virtual Coater framework resulting in virtual thin films. The simulations are carried out for artificial, simplified deposition conditions as well as for conditions representing a real coating process. The study focuses on porous films which exhibit a significant anisotropy regarding the atomistic structure and consequently, to the index of refraction. A method how to determine the effective anisotropic index of refraction of virtual thin films by the effective medium theory is developed. The simulation applies both, classical molecular dynamics as well as kinetic Monte Carlo calculations, and finally the properties of the virtual films are compared to experimentally grown films especially analyzing the birefringence in the evaluation.
langue originaleAnglais
journalOptics Express
Volume27
Numéro de publication16
étatPublié - 2019

Empreinte digitale

optical properties
refraction
thin films
birefringence
coating
simulation
vapor deposition
molecular dynamics
anisotropy
evaluation
kinetics

Citer ceci

Moskovkin, P., Badorreck, H., Steinecke, M., Jensen, L., Ristau, D., Jupe, M., ... Tolenis, T. (2019). Correlation of structural and optical properties using virtual materials analysis. Optics Express, 27(16).
Moskovkin, Pavel ; Badorreck, Holger ; Steinecke, Morten ; Jensen, Lars ; Ristau, Detlev ; Jupe, Marco ; Muller, Jérôme ; Lucas, Stéphane ; Pflug, Andreas ; Grinevičiūtė, Lina ; Selskis, Algirdas ; Tolenis, Tomas. / Correlation of structural and optical properties using virtual materials analysis. Dans: Optics Express. 2019 ; Vol 27, Numéro 16.
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abstract = "Thin film growth of TiO2 by physical vapor deposition processes is simulated in the Virtual Coater framework resulting in virtual thin films. The simulations are carried out for artificial, simplified deposition conditions as well as for conditions representing a real coating process. The study focuses on porous films which exhibit a significant anisotropy regarding the atomistic structure and consequently, to the index of refraction. A method how to determine the effective anisotropic index of refraction of virtual thin films by the effective medium theory is developed. The simulation applies both, classical molecular dynamics as well as kinetic Monte Carlo calculations, and finally the properties of the virtual films are compared to experimentally grown films especially analyzing the birefringence in the evaluation.",
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Moskovkin, P, Badorreck, H, Steinecke, M, Jensen, L, Ristau, D, Jupe, M, Muller, J, Lucas, S, Pflug, A, Grinevičiūtė, L, Selskis, A & Tolenis, T 2019, 'Correlation of structural and optical properties using virtual materials analysis', Optics Express, VOL. 27, Numéro 16.

Correlation of structural and optical properties using virtual materials analysis. / Moskovkin, Pavel; Badorreck, Holger; Steinecke, Morten; Jensen, Lars; Ristau, Detlev; Jupe, Marco; Muller, Jérôme; Lucas, Stéphane; Pflug, Andreas; Grinevičiūtė, Lina; Selskis, Algirdas; Tolenis, Tomas.

Dans: Optics Express, Vol 27, Numéro 16, 2019.

Résultats de recherche: Contribution à un journal/une revueArticle

TY - JOUR

T1 - Correlation of structural and optical properties using virtual materials analysis

AU - Moskovkin, Pavel

AU - Badorreck, Holger

AU - Steinecke, Morten

AU - Jensen, Lars

AU - Ristau, Detlev

AU - Jupe, Marco

AU - Muller, Jérôme

AU - Lucas, Stéphane

AU - Pflug, Andreas

AU - Grinevičiūtė, Lina

AU - Selskis, Algirdas

AU - Tolenis, Tomas

PY - 2019

Y1 - 2019

N2 - Thin film growth of TiO2 by physical vapor deposition processes is simulated in the Virtual Coater framework resulting in virtual thin films. The simulations are carried out for artificial, simplified deposition conditions as well as for conditions representing a real coating process. The study focuses on porous films which exhibit a significant anisotropy regarding the atomistic structure and consequently, to the index of refraction. A method how to determine the effective anisotropic index of refraction of virtual thin films by the effective medium theory is developed. The simulation applies both, classical molecular dynamics as well as kinetic Monte Carlo calculations, and finally the properties of the virtual films are compared to experimentally grown films especially analyzing the birefringence in the evaluation.

AB - Thin film growth of TiO2 by physical vapor deposition processes is simulated in the Virtual Coater framework resulting in virtual thin films. The simulations are carried out for artificial, simplified deposition conditions as well as for conditions representing a real coating process. The study focuses on porous films which exhibit a significant anisotropy regarding the atomistic structure and consequently, to the index of refraction. A method how to determine the effective anisotropic index of refraction of virtual thin films by the effective medium theory is developed. The simulation applies both, classical molecular dynamics as well as kinetic Monte Carlo calculations, and finally the properties of the virtual films are compared to experimentally grown films especially analyzing the birefringence in the evaluation.

M3 - Article

VL - 27

JO - Opt. Express

JF - Opt. Express

SN - 1094-4087

IS - 16

ER -

Moskovkin P, Badorreck H, Steinecke M, Jensen L, Ristau D, Jupe M et al. Correlation of structural and optical properties using virtual materials analysis. Optics Express. 2019;27(16).