Atomistic TNL Epitaxial Material Growth CAD Software helps in expediting the CVD reactor based deposition processes. TNL-EMG help in better understanding of underneath issues through purely physics and kMC algorthims based atomistic material growth simulation to replicate real time deposition experiments without use of any continuum model or partial differential equations.
Reactor Geometry
Substrate Symmetry
Substrate Orientation
Precursors database
Carrier gases database
Flow rates
Gas phase kinetics
Surface Phase kinetics
Chamber & Substrate Temperature, Pressure
Chamber Pressure
Schwoebel-Enrich barrier
Incorporation barrier
Nearest neighbor energy
Arrehnius based chemical kinetics
Transition State Theory
Fick's law
Leonard-Jones parameters
Chapman-Enskog theory
Schmidt number
Laminar Boundary
Growth Rate
Average Surface Roughness
Lattice Parameter of each & every atoms
Average Strain
Void or Vacancy density
Interstistials density
Line defect density
Stacking Faults density
Mole fraction
Lattice Constant
Reactant gases transportation into the reaction chamber,
Reactant gases diffusion through the gaseous boundary layer to the substrate
Formation of intermediate reactants from reactant gases
Absorption of gases onto the substrate surface
Single or multi-step reactions at the substrate surface
Desorption of product gases from the substrate surface
Forced exit of undesired product gases from the system
| Various physical parameters used for the epitaxial deposition of the silicon (Si) and silicon-germanium (SixGe1-x) | |||
|---|---|---|---|
| Parameters | Si | SixGe1-x | |
| Chamber Temperature (oC) | 550 - 800 | 600 - 700 | Chamber Pressure (Torr) | 10 | 80 | Cross Sectional Area (cm2) | 12 | 12 | Length of Chamber (cm) | 100 | 100 | Distance between Substrate and Edge (cm) | 1.0 | 1.0 | Precursors Gases | SiH4 & Si2H6 | SiH4 & GeH4 | Precursors Flow Rate (sccm) | 45 | 10 & 1 | Carrier Gas | H2 | H2 | Carrier Gas Flow Rate (sccm) | 10000 | 10000 | Substrate Temperature (C) | 800 | 800 | Surface Energy (eV) | 2.0 | 2.0 | Desorption Barrier (eV) | 2.0 | 2.0 | Schwoebel Barrier (eV) | 3.0 | 3.0 | Incorporation Barrier (eV) | 0.05 | 0.05 | Nearest Neighbour Energy (eV) | 0.05 | 0.05 | No. of Interactive Elements | 1 | 1 |
| Reactions |
Phase |
A |
n |
Ea (cal) |
|
|---|---|---|---|---|---|
| SiH4 ↔ SiH2+H2 | G1 | 3.1E+09 | 0.7 | 54710 | SiH4 + SiH2 ↔ Si2H6 | G2 | 1.8E+10 | 1.7 | 50200 | Si2H6 ↔ H2 + HSiSiH3 | G3 | 9.1E+09 | 1.8 | 54200 | HSiSiH3 + SiH4 ↔ SiH2 + Si2H6 | G4 | 1.7E+14 | 0.4 | 8900 | HSiSiH3 + H2 ↔ SiH2 + SiH4 | G5 | 2.5E+13 | -0.2 | 5380 | HSiSiH3 ↔ H2SiSiH2 | G6 | 9.3E13 | 0.0 | 4092 | SiH4 + 2σ ⟶ SiH3* + H* | S1 | 9.3E+13 | 0.5 | 3000 | SiH3 + σ ⟶ SiH2* + H* | S2 | 1.1E+19 | 0.0 | 27000 | 2SiH2* ⟶ 2SiH* + H2 | S3 | 4.4E+17 | 0.0 | 45000 | SiH2 + σ ⟶ SiH2* | S4 | 2.4E+24 | 0.5 | 0 | SiH* ⟶ Si(s) + 1/2 H2 + σ | S5 | 5.8E+11 | 0.0 | 47000 | 2H* ⟶ H2 + 2σ | S6 | 7.9E+11 | 0.0 | 43000 | H2 + 2σ ⟶ 2H* | S7 | 1.3E+22 | 0.5 | 17250 |
For Disilane and Germene precursors chemical kinetics refer to TNL-EpiGrow manual of CVD reactor.
Si deposition using Silane precursor
Growth Rates using Silane and Disilane precursors
T.N. Adam, S. Bedell, A. Reznicek, D.K. Sadana, A. Venkateshan, T. Tsunoda, T. Seino, J. Nakatsuru, S.R. Shinde, Low-temperature growth of epitaxial (1 0 0) silicon based on silane and disilane in a 300 mm UHV/CVD cold-wall reactor, Journal of Crystal Growth 312 (2010) 3473–3478. (Experiment)
SixGe1-x deposition using Silane and Germene precursors
Growth Rate with mole fraction using Silane and Germene precursors
B.Tillack, J.Murota “ Silicon–germanium (SiGe) crystal growth using chemical vapor deposition, Chapter 6, Woodhead Publishing Series in Electronic and Optical Materials, (2011), Pages 117-146. (Experiment)
Vacancies
The coupled algorithms of the gas- & surface phase reactions kinetics with kinetic
Monte Carlo (kMC) method are found relaible to optimize the CVD processes and produce similar growth rates against the experimental findings.
The CVD simulator is found to be computationally efficient to extract the thin film
morphologies at atomistic scale e.g. point defects, strain layer by layer, growth in steps, surface roughness and
lattice parameter compared to obtained through XRD, layer by layer along with chemical reaction kinetics data.
TNL-CVD reactor can be used to develop a closed loop operation strategy to improve thinfilms
quality and to reduce the batch-to-batch variability caused by drift during the conditioning phase of reactor operation.
Valuable atomistic insights and thorough understanding of chemical kinetics along with adsorption,
hopping or diffusion and desorption with various output data under the various operating input conditions.
Optimize the chemical kinetics and deposition conditions along with the flow rates of the precursors and
carrier gases used for semiconductors, metals & insulators deposition to produce high quality thin films and epi-wafers.
Reduction in manpower consumption and growth process cost.
Help to expedite the development to production time associated with new growth process
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