Multiscale Modeling in Chemical Vapor Deposition Processes: Models and Methodologies

Monte Carlo and Kinetic Monte Carlo Models for Deposition Processes: A Review of Recent Works

“…The various categories of deposition processes (PVD, CVD, ALD and electrodeposition) were introduced and selected applications were highlighted. This work maintains a broad perspective of process types and applications, and contributes to recent reviews regarding the computational approaches for the theoretical investigation of graphene growth [77,78], multiscale modeling in CVD [4] and the implementation of surface reactions in kMC [79].…”

“…ALD offers exceptional conformality on high aspect ratio micro-structures, high thickness and film composition control [53] which makes it prevalent in modern complementary metal-oxide-semiconductor (CMOS) and dynamic randomaccess memory (DRAM) fabrication processes. Concerning deposition inside micro-structures, MC/kMC methods have been used for over three decades in the context of CVD [4]. Nevertheless, CVD could not provide good step coverage in high aspect ratio structures, for which ALD came as a solution.…”

“…MC/kMC have notable applications in the study of film deposition processes-probably the most important in the fabrication of semiconductor devices. Because of their importance, deposition processes have extensively studied via MC/kMC models either standalone or combined with other models in the context of multiscale modeling [4]. Nevertheless, there is no current review of the works that use MC or kMC concerning film deposition.…”

Thermodynamic Analysis of Preparation of SiBCN Films Using a Trimethylaminoborane–Tetramethyldisilazane Gas Mixture

“…According to the available literature data, the following gas mixtures are used in synthesis of SiBCN coatings: SiMe 4 + H 2 + BF 3 + Ar + N 2 + He [9], SiCl 3 Me + NH 3 + BCl 3 + H 2 + Ar [10,11], (SiMe 3 ) 2 + Me 3 N•BH 3 + Ar [12], and volatile organosilicon and organoboron compounds mixed with nitrogen and argon [13][14][15]. To optimize the parameters of the deposition of coatings from complex gas mixturesthe deposition temperature, the total pressure in the system, and the composition of the initial gas mixture, it is useful to perform a preliminary thermodynamic analysis of the CVD process [16][17][18][19]. Thermodynamic modeling of the Si-B-C-N-Cl-H system has been carried out in [20], where the possibility of fabrication of SiBCN ceramics from a SiCl 3 Me + NH 3 + BCl 3 + H 2 + Ar mixture has been shown and it has been found that the predominant condensed phases are SiC, Si 3 N 4 , BN, B 4 C, and C.…”

A hybrid modeling framework for simulating plasma-surface interactions of rough polymeric substrates

“…Various kMC schemes have been proposed for the description of surface processes [212][213][214][215][216][217][218][219].…”