Correlation of structural and optical properties using virtual materials analysis

Badorreck, Holger; Steinecke, Morten; Jensen, Lars; Ristau, Detlev; Jupé, Marco; Müller, Jérôme; Tonneau, Romain; Moskovkin, Pavel; Lucas, Stéphane; Pflug, Andreas; Grinevičiūtė, Lina; Selskis, Algirdas; Tolenis, Tomas

doi:10.1364/oe.27.022209

Cited by 20 publications

(22 citation statements)

References 21 publications

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“…The initial values of the silicon and oxygen atom velocities corresponded to the deposited atoms' kinetic energies E(Si) = 10 eV and E(O) = 0.1 eV. These values are typical for the high-energy deposition processes like ion beam sputtering (IBS) [16] and were used in MD simulations reported earlier [8,[13][14][15].…”

Section: Methodsmentioning

confidence: 99%

“…The decrease of the compressive stress was caused by the relaxation of the distorted C-C bonds [7]. The MD and kinetic Monte Carlo methods were used to simulate growth of TiO 2 films [8]. The formation of the columnar structure was demonstrated in the case of oblique angle deposition.…”

Section: Introductionmentioning

confidence: 99%

“…The formation of the columnar structure was demonstrated in the case of oblique angle deposition. The anisotropy of the refractive index was studied in [8], using the anisotropic Bruggeman effective medium theory for many-component materials [9]. The growth of microcolumns in the GLAD films was investigated using the 3D ballistic simulation [10,11].…”

Section: Introductionmentioning

confidence: 99%

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Atomistic Simulation of Stresses in Growing Silicon Dioxide Films

Grigoriev¹,

Сулимов²,

Tikhonravov³

2020

Coatings

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Dependence of stress values in silicon dioxide films on its thickness in the initial stage of film growth was investigated using atomistic molecular dynamics simulation. It was shown that the stress in normally deposited films was compressive and varied slightly with growth of film thickness. The stress in the glancing angle deposited films was several times lower than the stress in the normally deposited films, and varied from compressive stress to tensile stress with increasing film thickness. An essential anisotropy of stress tensor components was revealed for the case of glancing angle deposition. The calculated stress values were in the interval of experimental data.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Atomistic Simulation of Stresses in Growing Silicon Dioxide Films

Grigoriev¹,

Сулимов²,

Tikhonravov³

2020

Coatings

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“…This value takes into account the high-energy part of the Thomson distribution. The same value of sputtered atoms energy is used in [14] for simulation of the high-energy deposition of titanium dioxide films. Since the tilt angle essentially depends on the deposition angle, its divergence is not taken into account to demonstrate the formation of the chevron-like structure more clearly.…”

Section: Methodsmentioning

confidence: 99%

“…A coincidence was found in the calculated and experimental values of the saturated roughness exponent. In [14], growth of a TiO 2 thin film is simulated using the MD and kinetic Monte Carlo methods. The formation of a slanted columnar structure is demonstrated for CLAD.…”

Section: Introductionmentioning

confidence: 99%

Structure of Highly Porous Silicon Dioxide Thin Film: Results of Atomistic Simulation

2019

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The high-energy glancing angle deposition of silicon dioxide films with alternation of deposition angle is studied using classical atomistic simulation. Both slow and fast alternations are investigated. The growth of vertical tree-like columns and chevron-like regular structures is demonstrated under fast and slow alternations, respectively. Due to high porosity, the density of the deposited silicon dioxide films is reduced to 1.3 ÷ 1.4 g/cm3. This results in reduction of the refractive index to 1.3, which agrees with known experimental data. For slow continuous substrate rotation, formation of a helical structure is demonstrated.

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