Analysis of surface adsorption kinetics of SiH4 and Si2H6 for deposition of a hydrogenated silicon thin film using intermediate pressure SiH4 plasmas

Park, Hwanyeol; Yoon, Euijoon; Lee, Gun-Do; Kim, Ho Jun

doi:10.1016/j.apsusc.2019.143728

Cited by 16 publications

(20 citation statements)

References 38 publications

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“…In this study, all DFT calculations were carried out using the Vienna ab initio simulation package (VASP) program with the Perdew-Burke-Ernzerhof (PBE) functional in the generalized gradient approximation (GGA) [23,24]. Details of DFT calculations were provided in our previous report [14]. We searched for the most probable hydrogen configurations (see Figures 1 and 2) in the top layer of the H-50% covered Si(001) and H-50% covered Si(111) surfaces.…”

Section: Dft Calculationsmentioning

confidence: 99%

“…The three bottom layers of all surfaces containing generalized gradient approximation (GGA) [23,24]. Details of DFT calculations were provided in our previous report [14]. We searched for the most probable hydrogen configurations (see Figures 1 and 2) in the top layer of the H-50% covered Si(001) and H-50% covered Si(111) surfaces.…”

Section: Dft Calculationsmentioning

confidence: 99%

“…Important to note is that the reactivity of Si 2 H 6 molecules on H-covered Si surfaces is more energetically favorable than on clean Si surfaces (for the reactivities on the clean Si (001) and Si(111) surfaces, see Park et al [14]). The H atoms covering the surface interact with the Si and H atoms attached to the Si 2 H 6 molecules.…”

Section: Comparisons Of Si 2 H 6 Surface Reactivitiesmentioning

confidence: 99%

“…Thus, in-depth comprehension of the surface adsorption of Si 2 H 6 at the atomic scale is required [12,13]. To achieve this purpose, in our previous study [14], it was theoretically investigated that Si 2 H 6 on the clean Si(001) surface is the most efficient in deposition of Si:H thin films among SiH 4 on the clean Si(001), Si 2 H 6 on the clean Si(001), SiH 4 on the clean Si(111) and Si 2 H 6 on the clean Si(111).…”

Section: Introductionmentioning

confidence: 99%

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Theoretical Analysis of Si2H6 Adsorption on Hydrogenated Silicon Surfaces for Fast Deposition Using Intermediate Pressure SiH4 Capacitively Coupled Plasma

Park

Kim

2021

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The rapid and uniform growth of hydrogenated silicon (Si:H) films is essential for the manufacturing of future semiconductor devices; therefore, Si:H films are mainly deposited using SiH4-based plasmas. An increase in the pressure of the mixture gas has been demonstrated to increase the deposition rate in the SiH4-based plasmas. The fact that SiH4 more efficiently generates Si2H6 at higher gas pressures requires a theoretical investigation of the reactivity of Si2H6 on various surfaces. Therefore, we conducted first-principles density functional theory (DFT) calculations to understand the surface reactivity of Si2H6 on both hydrogenated (H-covered) Si(001) and Si(111) surfaces. The reactivity of Si2H6 molecules on hydrogenated Si surfaces was more energetically favorable than on clean Si surfaces. We also found that the hydrogenated Si(111) surface is the most efficient surface because the dissociation of Si2H6 on the hydrogenated Si(111) surface are thermodynamically and kinetically more favorable than those on the hydrogenated Si(001) surface. Finally, we simulated the SiH4/He capacitively coupled plasma (CCP) discharges for Si:H films deposition.

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Section: Dft Calculationsmentioning

confidence: 99%

Section: Dft Calculationsmentioning

confidence: 99%

Section: Comparisons Of Si 2 H 6 Surface Reactivitiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Theoretical Analysis of Si2H6 Adsorption on Hydrogenated Silicon Surfaces for Fast Deposition Using Intermediate Pressure SiH4 Capacitively Coupled Plasma

Park

Kim

2021

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“…30,31 This method was made to search one of the various states near the transition-state along the reaction path, converging at the highest saddle point. [32][33][34][35] Fig. 1 shows the nal atomic structures of 64 C atom-containing a-C lms with an increase in the atomic density (3.2 to 4.0 g cm À3 ) and hydrogen concentrations (15.6 to 31.2 at%).…”

Section: Dft Calculationsmentioning

confidence: 99%