Trends of Nanoclusters' Growth by Physical Vapor Deposition Studied by Atomistic Simulation

2009 ◽  
Vol 1177 ◽  
Author(s):  
Abuhanif Bhuiyan ◽  
Steven K. Dew ◽  
Maria Stepanova
Keyword(s):  
Vapor Deposition ◽  
Computer Aided Design ◽  
Physical Vapor Deposition ◽  
Kinetic Monte Carlo ◽  
Substrate Material ◽  
Process Conditions ◽  
Control Factors ◽  
Crucial Component ◽  
Self Assembled ◽  
Controllable Fabrication

AbstractEfficient methodologies for synthesis of nanocrystals (NC) are a crucial component for creation of nanostructured electronic components. Physical vapor deposition (PVD) is one of the most flexible techniques to fabricate self-assembled arrangements of nanoclusters. Controllable fabrication of such assemblies can improve reliability of nanocapacitors, enhance performance of magnetic memories, and has many applications in opto-electronics devices, etc. However, size, shape and density of nanocrystals are highly sensitive to the process conditions such as duration of deposition, temperature, substrate material, etc. To efficiently synthesize nanocrystalline arrays by PVD, the process control factors should be understood in greater detail. In this work, we present a kinetic Monte Carlo (KMC) model and report simulations that explicitly represent the PVD synthesis of nanocrystals on substrates. Here we study how varying the most important process parameters affects the morphologies of self-assembled metallic islands on substrates. We compare our results with experimentally observed surface morphologies generated by PVD and demonstrate that KMC models like this are an efficient tool for computer-aided design of PVD processes for synthesis of nanocrystals.

Kinetic Monte Carlo Simulation of Metallic Nanoislands Grown by Physical Vapor Deposition

2011 ◽  
Vol 9 (1) ◽  
pp. 49-67 ◽  
Author(s):  
Abuhanif K. Bhuiyan ◽  
S. K. Dew ◽  
M. Stepanova
Keyword(s):  
Vapor Deposition ◽  
Physical Vapor Deposition ◽  
Kinetic Monte Carlo ◽  
Substrate Material ◽  
Film Deposition ◽  
Process Conditions ◽  
Control Factors ◽  
Critical Process Parameters ◽  
Self Assembled ◽  
Surface Morphologies

AbstractWe report kinetic Monte-Karlo (KMC) simulation of self-assembled synthesis of nanocrystals by physical vapor deposition (PVD), which is one of most flexible, efficient, and clean techniques to fabricate nanopatterns. In particular, self-assembled arrays of nanocrystals can be synthesized by PVD. However size, shape and density of self-assembled nanocrystals are highly sensitive to the process conditions such as duration of deposition, temperature, substrate material, etc. To efficiently synthesize nanocrystalline arrays by PVD, the process control factors should be understood in detail. KMC simulations of film deposition are an important tool for understanding the mechanisms of film deposition. In this paper, we report a KMC modeling that explicitly represents PVD synthesis of self-assembled nanocrystals. We study how varying critical process parameters such as deposition rate, duration, temperature, and substrate type affect the lateral 2D morphologies of self-assembled metallic islands on substrates, and compare our results with experimentally observed surface morphologies generated by PVD. Our simulations align well with experimental results reported in the literature.

Computer Simulations from Thermodynamic Data: Materials Protection and Development

MRS Bulletin ◽  
1999 ◽  
Vol 24 (4) ◽  
pp. 18-21 ◽  
Author(s):  
P.J. Spencer
Keyword(s):  
Vapor Deposition ◽  
Thermodynamic Data ◽  
Physical Vapor Deposition ◽  
Chemical Vapor ◽  
Phase Changes ◽  
Thermodynamic Calculations ◽  
Process Conditions ◽  
Inorganic Substances ◽  
Fundamental Information ◽  
Diffusion Phenomena

The development and optimization of materials and processes are generally extremely time-consuming and costly Operations. As a result, significant delays are frequently encountered before important materials advances can be introduced in technological applications. For these reasons, thermodynamic calculations and simulations based on critically evaluated data are now finding wide and increasing use as basic tools in materials and process design. Commercial Software packages incorporating thermodynamic databases are already available for this purpose. Their use enables the number of direct measurements to be minimized, as Information on necessary process conditions can be obtained very rapidly and inexpensively to achieve a product of the required purity with the minimum waste of energy and materials.Typical examples of materials development now being assisted and improved with the help of thermodynamic calculations are■ selection of optimum melting and casting conditions for complex alloys,■ optimization of deposition conditions in chemical-vapor-deposition and physical-vapor-deposition production of metal and oxide coatings,■ definition of suitable compositions and heat-treatment conditions in the production of application-specific materials, and■ prediction of energy requirements and environmental emissions associated with specific materials-processing Operations.Equilibrium thermodynamic calculations alone can sometimes prove satisfac-tory for Simulation of high-temperature technological processes. However, for reliability of simulations at lower temperatures, kinetic factors cannot be neglected. For this reason, recent Software developments include descriptions of diffusion phenomena, or rates of reaction. Significant here is the more fundamental Information provided for nonequilibrium conditions.This often gives new insight into the basis of compositional and phase changes in complex Systems under different process conditions. The reliability of thermodynamic simulations clearly depends upon the reliability of the data used. A significant drawback here is that many classic thermodynamic data compilations contain values for pure inorganic substances only (e.g., References 4–6). There are very few processes, however, for which the reactants and products can be regarded as simple stoichiometric Compounds. Even very small amounts of dissolved gases or other impurities in a product material can seriously impair its properties.

Kinetic Monte Carlo Study of Void Distribution in Nickel Thin Film by Physical Vapor Deposition

2007 ◽  
Vol 121-123 ◽  
pp. 1153-1156
Author(s):  
Xiao Dong He ◽  
Ying Chun Shan ◽  
Ming Wei Li
Keyword(s):  
Thin Film ◽  
Monte Carlo ◽  
Substrate Temperature ◽  
Deposition Rate ◽  
Vapor Deposition ◽  
Critical Incident ◽  
Physical Vapor Deposition ◽  
Kinetic Monte Carlo ◽  
Incident Angle ◽  
Void Distribution

2D kinetic Monte Carlo simulation has been used to study the void distribution of nickel thin film prepared by physical vapor deposition, and embedded atom method (EAM) was used to represent the interatomic interaction. Packing density and surface roughness were studied as the functions of deposition rate, substrate temperature and incident angle. The results reveal the existence of critical substrate temperature and critical incident angle, and higher substrate temperature, lower deposition rate and appropriate incident angle are advantaged to prepare the compact thin film with excellent mechanical properties.

Influence of the Deposition Parameters on the Electrical and Mechanical Properties of Physically Vapor-Deposited Iridium and Rhodium Thin Films

1999 ◽  
Vol 594 ◽  
Author(s):  
Ilan Golecki ◽  
Margaret Eagan
Keyword(s):  
Thin Films ◽  
Sheet Resistance ◽  
Vapor Deposition ◽  
Physical Vapor Deposition ◽  
Room Temperature ◽  
Process Window ◽  
Process Conditions ◽  
Silicon Substrates ◽  
Deposition Parameters ◽  
Thin Chromium

AbstractIridium and rhodium thin films have been formed by e-gun physical vapor deposition on thin-chromium-coated, thermally-oxidized, silicon substrates. Cr, Ir and Rh deposition rates and substrate temperature during deposition were measured and controlled. The effects of the latter deposition parameters on the sheet resistance and stress of the Ir and Rh films are presented and it is demonstrated that both stress and sheet resistance can be desirably minimized by proper choice of the process conditions. The resistivity of these Rh and Ir thin films has been measured at room temperature. Rh can be formed in a wider process window than Ir. Rh films with Rsh = 0.1 Ω/square have been obtained at a thickness of 0.6 ¼m.

TEM characterization of WSix films

1994 ◽  
Vol 52 ◽  
pp. 848-849
Author(s):  
V. C. Kannan ◽  
S. M. Merchant ◽  
R. B. Irwin ◽  
A. K. Nanda ◽  
M. Sundahl ◽  
...  
Keyword(s):  
Integrated Circuits ◽  
Vapor Deposition ◽  
High Purity ◽  
Physical Vapor Deposition ◽  
Thermal Treatments ◽  
Rapid Thermal Anneal ◽  
Tungsten Silicide ◽  
Tem Characterization ◽  
Metal Silicides

Metal silicides such as WSi2, MoSi2, TiSi2, TaSi2 and CoSi2 have received wide attention in recent years for semiconductor applications in integrated circuits. In this study, we describe the microstructures of WSix films deposited on SiO2 (oxide) and polysilicon (poly) surfaces on Si wafers afterdeposition and rapid thermal anneal (RTA) at several temperatures. The stoichiometry of WSix films was confirmed by Rutherford Backscattering Spectroscopy (RBS). A correlation between the observed microstructure and measured sheet resistance of the films was also obtained.WSix films were deposited by physical vapor deposition (PVD) using magnetron sputteringin a Varian 3180. A high purity tungsten silicide target with a Si:W ratio of 2.85 was used. Films deposited on oxide or poly substrates gave rise to a Si:W ratio of 2.65 as observed by RBS. To simulatethe thermal treatments of subsequent processing procedures, wafers with tungsten silicide films were subjected to RTA (AG Associates Heatpulse 4108) in a N2 ambient for 60 seconds at temperatures ranging from 700° to 1000°C.

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