Defect production during ion-assisted deposition of molybdenum films studied by molecular dynamics

ABSTRACTLow energy argon-ion assisted growth of thin molybdenum films (∼ 60 Å) has been studied by molecular dynamics simulations. The effects of a single ion impact are discussed, but more particularly we consider film growth from a manufacturing viewpoint and examine the properties of the completed films. Results for ion-beam assisted deposition are compared with those for unassisted growth (i.e. physical vapor deposition). Surface morphology, defect generation, argon incorporation, and the various responsible atomic mechanisms are discussed.

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Ion Beam Assisted Deposition

MRS Proceedings ◽

10.1557/proc-792-r12.5 ◽

2003 ◽

Vol 792 ◽

Cited By ~ 1

Author(s):

James K. Hirvonen

Keyword(s):

Thin Film ◽

Physical Vapor Deposition ◽

Film Growth ◽

Ion Beam ◽

Buffer Layers ◽

Optical Coatings ◽

Temperature Sensitive ◽

Energetic Ions ◽

Ion Beam Assisted Deposition ◽

Tribological Coatings

ABSTRACTThe beneficial roles energetic ions play in thin film vacuum processes have long been recognized by the vacuum coating community. Optical coaters were among the first to adopt the process in the form of concurrent, low energy, directed ion beam bombardment of physical vapor deposition [electron beam] coatings for producing dense, adherent, robust, and environmentally resistant optical coatings. The international research and development community has also been actively pursuing the study of ion beam assisted deposition (IBAD) for both studying the mechanisms of ion/solid interactions during thin film growth as well as for developing coating protocols for specific application areas, including: tribological coatings, anti-corrosion coatings, optical coatings, superconducting buffer layers and coatings for temperature sensitive substrates such as polymers. This paper will review selected areas of this active field and will attempt to identify emerging application areas.

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Large-scale molecular dynamics simulations of TiN/TiN(001) epitaxial film growth

Journal of Vacuum Science & Technology A Vacuum Surfaces and Films ◽

10.1116/1.4953404 ◽

2016 ◽

Vol 34 (4) ◽

pp. 041509 ◽

Cited By ~ 19

Author(s):

Daniel Edström ◽

Davide G. Sangiovanni ◽

Lars Hultman ◽

Ivan Petrov ◽

J. E. Greene ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Large Scale ◽

Epitaxial Film ◽

Film Growth ◽

Dynamics Simulations ◽

Epitaxial Film Growth

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Molecular Dynamics Study of Ion Impact Phenomena and Compressive Stress in Thin Films

MRS Proceedings ◽

10.1557/proc-317-497 ◽

1993 ◽

Vol 317 ◽

Cited By ~ 1

Author(s):

N.A. Marks ◽

P. Guan ◽

D.R. Mckenzie ◽

B.A. PailThorpe

Keyword(s):

Molecular Dynamics ◽

Three Dimensional ◽

Carbon Films ◽

Loss Mechanism ◽

Ion Energy ◽

Lennard Jones ◽

Impact Phenomena ◽

Ion Impact ◽

Dynamics Simulations ◽

The Impact

ABSTRACTMolecular dynamics simulations of nickel and carbon have been used to study the phenomena due to ion impact. The nickel and carbon interactions were described using the Lennard-Jones and Stillinger-Weber potentials respectively. The phenomena occurring after the impact of 100 e V to 1 keV ions were studied in the nickel simulations, which were both two and three-dimensional. Supersonic focussed collision sequences (or focusons) were observed, and associated with these focusons were unexpected sonic bow waves, which were a major energy loss mechanism for the focuson. A number of 2D carbon films were grown and the stress in the films as a function of incident ion energy was Measured. With increasing energy the stress changed from tensile to compressive and reached a maximum around 50 eV, in agreement with experiment.

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Atomic assembly during GaN film growth: Molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.73.045337 ◽

2006 ◽

Vol 73 (4) ◽

Cited By ~ 41

Author(s):

X. W. Zhou ◽

D. A. Murdick ◽

B. Gillespie ◽

H. N. G. Wadley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Film Growth ◽

Dynamics Simulations ◽

Gan Film

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Effect of Hydrogen Coverage on Silicon Thin Film Growth: Molecular Dynamics Investigation

MRS Proceedings ◽

10.1557/proc-584-251 ◽

1999 ◽

Vol 584 ◽

Author(s):

Shinya Muramatsu ◽

Masatoshi Shimada ◽

Masahiko Hirao

Keyword(s):

Molecular Dynamics ◽

Film Growth ◽

Surface Reactions ◽

Thin Film Growth ◽

Silicon Thin Film ◽

Reaction Conditions ◽

Silicon Thin Films ◽

Modified Surfaces ◽

Elementary Surface ◽

Dynamics Simulations

AbstractSilicon thin films grown by CVD processes take various structures depending on the reaction conditions. In the case of low-temperature CVD, hydrogen coverage on the silicon substrate affects the growth as well. In order to analyze the effect of hydrogen coverage on elementary surface reactions, we performed molecular dynamics simulations in which gasphase radicals, H and SiH3, fell onto a hydrogen-terminated silicon surface. We prepared monohydride and dihydride Si(100) surfaces and modified their hydrogen coverage in a certain area in the range from 0.5 to 2.0 monolayers so as to describe the growing surface. As a result of our simulation, H radicals mainly caused H adsorption and H abstraction reactions and altered the hydrogen coverage of the surface. While reactions of SiH3 radicals with monohydride or dihydride surfaces rarely occurred, these radicals reacted more frequently with the modified surfaces. These results indicate that the change in the local hydrogen coverage caused by H radicals may induce subsequent surface reactions

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Surface and Near-Surface Atom Dynamics During Low Energy Xe Ion Bombardment of Si and Fcc Surfaces

MRS Proceedings ◽

10.1557/proc-193-301 ◽

1990 ◽

Vol 193 ◽

Cited By ~ 3

Author(s):

M. V. R. Murty ◽

H. S. Lee ◽

Harry A. Atwater

Keyword(s):

Molecular Dynamics ◽

Surface Layer ◽

Ion Bombardment ◽

Low Energy ◽

Surface Processes ◽

Defect Production ◽

Near Surface ◽

Qualitative Nature ◽

Dynamics Simulations ◽

Atom Dynamics

ABSTRACTSurface and near-surface processes have been studied during low energy Xe ion bombardment of Si (001) and fcc surfaces using molecular dynamics simulations. Defect production is enhanced near the surface of smooth Si (001) surfaces with respect to the bulk in the energy range 20–150 eV, but is not confined exclusively to the surface layer. The extent and qualitative nature of bombardment-induced dissociation of small fcc islands on an otherwise smooth fcc (001) surface is found to depend strongly on island cohesive energy.

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Threshold defect production in silicon determined by density functional theory molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.78.045202 ◽

2008 ◽

Vol 78 (4) ◽

Cited By ~ 105

Author(s):

E. Holmström ◽

A. Kuronen ◽

K. Nordlund

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Molecular Dynamics Simulations ◽

Density Functional ◽

Defect Production ◽

Functional Theory ◽

Dynamics Simulations

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Void and Dislocation Microstructure Development in Heteroepitaxial Film Growth

MRS Proceedings ◽

10.1557/proc-399-371 ◽

1995 ◽

Vol 399 ◽

Author(s):

Richard W. Smith ◽

David J. Srolovitz

Keyword(s):

Thin Films ◽

Molecular Dynamics ◽

Film Growth ◽

Lattice Misfit ◽

Two Dimensional ◽

Microstructure Development ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Film Substrate ◽

Edge Dislocations

ABSTRACTTwo dimensional, non-equilibrium molecular dynamics simulations have been performed to examine the microstructures of both homoepitaxial and heteroepitaxial thin films grown on single crystal substrates. The principal microstructural features to develop within these films are small voids and edge dislocations. Voids form near the surface of the growing film as surface depressions between microcolumns pinch off to become closed volumes. These voids often form in such a way as to introduce dislocations into the crystal with their cores positioned within the voids. Dislocations are also formed during heteroepitaxy at the interface between the substrate and film. These dislocations tend to be mobile. When voids are present in the film and when the lattice misfit is low, dislocations tend to be trapped in the voids or pulled toward them due to dislocation image interactions. Once attached to voids, dislocations are effectively pinned there. When voids are absent or when the misfit is high, dislocations are restricted to the film-substrate interface. In the case of heteroepitaxy, dislocations are found to relieve either tensile or compressive misfit stresses. Misfit stresses may also be accommodated, to some extent, merely by the free volume of the voids themselves.

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