Multiscale Modeling of CdTe Thin Film Deposition Process

2013 ◽  
Vol 1524 ◽  
Author(s):  
Alexey Gavrikov ◽  
Andrey Knizhnik ◽  
Dmitry Krasikov ◽  
Boris Potapkin ◽  
Svetlana Selezneva ◽  
...  

ABSTRACTDeposition of semiconductor films is a key process for production of thin-film solar cells, such as CdTe or CIGS cells. In order to optimize photovoltaic properties of the film a comprehensive model of the deposition process should be build, which can relate deposition conditions and film properties. We have developed a multiscale model of deposition of CdTe film in close space sublimation (CSS) process. The model is based on kinetic Monte Carlo method on the rigid lattice, in which each site can be occupied by either Cd or Te atom. The model tabulates the energy of the site as a function of its local environment. These energies were obtained from first-principles calculates and then approximated with analytical formulas. Based on determined energies of each site we performed exchange (diffusion) processes using Metropolis algorithm. In addition the model included adsorption and desorption processes of Cd and Te2 species. The results of the model show that a steady-state structure of the surface layer is formed during film growth. The model can reproduce transition from film deposition to film etching depending on external conditions. Moreover, the model can predict deposition rates for non-stoichiometric gas compositions.

MRS Bulletin ◽  
1988 ◽  
Vol 13 (11) ◽  
pp. 29-36 ◽  
Author(s):  
Theodore D. Moustakas

Molecular Beam Epitaxy (MBE) is a thin film deposition process in which thermal beams of atoms or molecules react on the clean surface of a single-crystalline substrate, held at high temperatures under ultrahigh vacuum conditions, to form an epitaxial film. Thus, contrary to the CVD processes described in the other articles, the MBE process is a physical method of thin film deposition.The vacuum requirements for the MBE process are typically better than 10−10torr. This makes it possible to grow epitaxial films with high purity and excellent crystal quality at relatively low substrate temperatures. Additionally, the ultrahigh vacuum environment allows the study of surface, interface, and bulk properties of the growing film in real time, by employing a variety of structural and analytical probes.Although the MBE deposition process was first proposed by Günther in 1958, its implementation had to wait for the development of the ultrahigh vacuum technology. In 1968 Davey and Pankey successfully grew epitaxial GaAs films by the MBE process. At the same time Arthur's work on the kinetics of GaAs growth laid the groundwork for the growth of high quality MBE films of GaAs and other III-V compounds by Arthur and LePore and Cho.


Fractals ◽  
1996 ◽  
Vol 04 (03) ◽  
pp. 321-329 ◽  
Author(s):  
PABLO JENSEN ◽  
ALBERT-LÁSZLÓ BARABÁSI ◽  
HERNÁN LARRALDE ◽  
SHLOMO HAVLIN ◽  
H. EUGENE STANLEY

In this paper, we briefly review a model that describes the diffusion-controlled aggregation exhibited by particles as they are deposited on a surface. This model allows us to understand many experiments of thin film deposition. In the Sec. 1, we describe the model, which incorporates deposition, particle and cluster diffusion, and aggregation. In Sec. 2, we study the dynamical evolution of the model. Finally, we analyze the effects of small cluster mobility and show that the introduction of cluster diffusion dramatically affects the dynamics of film growth. Some of these effects can be tested experimentally.


Author(s):  
Monoj Kumar Singha ◽  
Vineet Rojwal

Thin film is used for sensing and electronic devices applications. Various techniques are used for thin film deposition. This chapter presents the Spray pyrolysis deposition technique used for the growth of thin films sensing and device material. Spray pyrolysis is an inexpensive method to grow good crystalline thin film compared to other thin film deposition techniques. The chapter gives an overview of the spray process used for thin film deposition. Basic setup for this process is explained. Parameters affecting the deposition process is explained, as are the various spray methods. Finally, some examples of spray pyrolysis in different applications like a gas sensor, UV photodetector, solar cell, photocatalysis, and supercapacitor are discussed.


1990 ◽  
Vol 206 ◽  
Author(s):  
I. Yamada ◽  
G.H. Takaoka ◽  
H. Usui ◽  
S.K. Koh

ABSTRACTAtomic scale imaging by STM and TEM of the initial stages of film growth of Ag and Au on graphite substrates indicate that the film nucleation processes are markedly different for ionized cluster beam (ICB) and molecular beam (MBE) deposition. Recent results on measurements of cluster size and formation of epitaxial metal-semiconductor layers by ICB are also discussed.


2011 ◽  
Vol 189-193 ◽  
pp. 2032-2036 ◽  
Author(s):  
Zhi Jian Wang ◽  
Xiao Feng Shang

Taking Silicon tetrachloride (SiCl4) and hydrogen (H2) as the reaction gas, by the method of plasma-enhanced chemical vapor deposition (PECVD), this paper simulates the deposition process of polycrystalline silicon thin film on the glass substrates in the software FLUENT. Three dimensional physical model and mathematics model of the simulated area are established. The reaction mechanism including main reaction equation and several side equations is given during the simulation process. The simulation results predict the velocity field, temperature distribution, and concentration profiles in the PECVD reactor. The simulation results show that the deposition rate of silicon distribution is even along the circumference direction, and gradually reduced along the radius direction. The deposition rate is about 0.005kg/(m2•s) at the center. The simulated result is basically consistent with the practical one. It means that numerical simulation method to predict deposition process is feasible and the results are reliable in PECVD system.


2020 ◽  
Vol 10 (1) ◽  
Author(s):  
D. Sciacqua ◽  
C. Pattyn ◽  
A. Jagodar ◽  
E. von Wahl ◽  
T. Lecas ◽  
...  

Abstract The plasma based synthesis of thin films is frequently used to deposit ultra-thin and pinhole-free films on a wide class of different substrates. However, the synthesis of thin films by means of low temperature plasmas is rather complex due to the great number of different species (neutrals, radicals, ions) that are potentially involved in the deposition process. This contribution deals with polymerization processes in a capacitively coupled discharge operated in a mixture of argon and aniline where the latter is a monomer, which is used for the production of plasma-polymerized polyaniline, a material belonging to the class of conductive polymers. This work will present a particular experimental approach that allows to (partially) distinguish the contribution of different species to the film growth and thus to control to a certain extent the properties of the resulting material. The control of the species flux emerging from the plasma and contributing to the film growth also sheds new light on the deposition process, in particular with respect to the role of the ion component. The analysis of the produced films has been performed by means of Fourier Transform Infrared spectroscopy (FTIR) and Near Edge X-ray Absorption Fine Structure spectroscopy (NEXAFS).


2010 ◽  
Vol 65 (16) ◽  
pp. 4720-4731 ◽  
Author(s):  
Xinyu Zhang ◽  
Gangshi Hu ◽  
Gerassimos Orkoulas ◽  
Panagiotis D. Christofides

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