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.

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.

scholarly journals Generation of Charged Ti Nanoparticles and Their Deposition Behavior with a Substrate Bias during RF Magnetron Sputtering

Coatings ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 443
Author(s):  
Ji-Hye Kwon ◽  
Du-Yun Kim ◽  
Nong-Moon Hwang
Keyword(s):  
Electron Microscopy ◽  
Vapor Deposition ◽  
Physical Vapor Deposition ◽  
Film Growth ◽  
Film Deposition ◽  
Calculated Density ◽  
X Ray ◽  
Positively Charged ◽  
Made In ◽  
Ti Films

This study is based on the film growth by non-classical crystallization, where charged nanoparticles (NPs) are the building block of film deposition. Extensive studies about the generation of charged NPs and their contribution to film deposition have been made in the chemical vapor deposition (CVD) process. However, only a few studies have been made in the physical vapor deposition (PVD) process. Here, the possibility for Ti films to grow by charged Ti NPs was studied during radio frequency (RF) sputtering using Ti target. After the generation of charged Ti NPs was confirmed, their influence on the film quality was investigated. Charged Ti NPs were captured on amorphous carbon membranes with the electric bias of −70 V, 0 V, +5 V, +15 V and +30 V and examined by transmission electron microscopy (TEM). The number density of the Ti NPs decreased with increasing positive bias, which showed that some of Ti NPs were positively charged and repelled by the positively biased TEM membrane. Ti films were deposited on Si substrates with the bias of −70 V, 0 V and +30 V and analyzed by TEM, field-emission scanning electron microscopy (FESEM), X-ray diffraction (XRD) and X-ray reflectivity (XRR). The film deposited at −70 V had the highest thickness of 180 nm, calculated density of 4.974 g/cm3 and crystallinity, whereas the film deposited at +30 V had the lowest thickness of 92 nm, calculated density of 3.499 g/cm3 and crystallinity. This was attributed to the attraction of positively charged Ti NPs to the substrate at −70 V and to the landing of only small-sized neutral Ti NPs on the substrate at +30 V. These results indicate that the control of charged NPs is necessary to obtain a high quality thin film at room temperature.

scholarly journals Aspects of thin film deposition on granulates by physical vapor deposition

2016 ◽  
Vol 70 (11) ◽  
Author(s):  
Andreas Eder ◽  
Gerwin H.S. Schmid ◽  
Harald Mahr ◽  
Christoph Eisenmenger-Sittner
Keyword(s):  
Thin Film ◽  
Vapor Deposition ◽  
Physical Vapor Deposition ◽  
Thin Film Deposition ◽  
Film Deposition

Progress in Optimization of Physical Vapor Deposition of Thin Films

2021 ◽  
pp. 243-259
Author(s):  
Fredrick M. Mwema ◽  
Esther T. Akinlabi ◽  
Oluseyi Philip Oladijo
Keyword(s):  
Thin Film ◽  
Vapor Deposition ◽  
Physical Vapor Deposition ◽  
Evaluation Criteria ◽  
Chemical Deposition ◽  
Thin Film Deposition ◽  
Optimization Techniques ◽  
Film Deposition ◽  
Physical Deposition ◽  
Deposition Processes

In this chapter, the current state of the art in optimization of thin film deposition processes is discussed. Based on the reliable and credible published results, the study aims to identify the applications of various optimization techniques in the thin film deposition processes, with emphasis on physical deposition methods. These methods are chosen due to their attractive attributes over chemical deposition techniques for thin film manufacturing. The study identifies the critical parameters and factors, which are significant in designing of the optimization algorithms based on the specific deposition methods. Based on the specific optimization studies, the chapter provides general trends, optimization evaluation criteria, and input-output parameter relationships on thin film deposition. Research gaps and directions for future studies on optimization of physical vapor deposition methods for thin film manufacturing are provided.

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.

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