Defect centers in a-SiNx: electronic and structural properties

Mota, F.; Justo, J. F.; Fazzio, Adalberto

doi:10.1590/s0103-97332002000200055

Cited by 8 publications

(5 citation statements)

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“…A variety of similar empirical bond order expressions have been developed since the Tersoff form was introduced. These include improved forms for modelling silicon [60][61][62][63], potentials for other covalently bonded systems such as GaAs [63] and SiN [64], and forms for molecular structures that include hydrogen [63][64][65][66][67][68][69]. There has also been recent progress in incorporating weak non-bonded interactions within the bond order formalism [70,71].…”

Section: Abell-tersoff Bond Order Potentialsmentioning

confidence: 99%

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Brenner

Shenderova

Harrison

et al. 2002

J. Phys.: Condens. Matter

3,135

2,519

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A second-generation potential energy function for solid carbon and hydrocarbon molecules that is based on an empirical bond order formalism is presented. This potential allows for covalent bond breaking and forming with associated changes in atomic hybridization within a classical potential, producing a powerful method for modelling complex chemistry in large many-atom systems. This revised potential contains improved analytic functions and an extended database relative to an earlier version (Brenner D W 1990 Phys. Rev. B 42 9458). These lead to a significantly better description of bond energies, lengths, and force constants for hydrocarbon molecules, as well as elastic properties, interstitial defect energies, and surface energies for diamond.

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Section: Abell-tersoff Bond Order Potentialsmentioning

confidence: 99%

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Brenner

Shenderova

Harrison

et al. 2002

J. Phys.: Condens. Matter

3,135

2,519

View full text Add to dashboard Cite

show abstract

“…Considering these aspects of gas phase reactions and surface interactions, it is postulated that the columnar structure with high density arises due to the large and heavy precursors exhibiting limited migration length. The experimental trend of SiN film density varying with flow rate, pressure, and RF power, 199) along with results from classical MD calculations 199) using the large-scale atomic/molecular massively parallel simulator (LAMMPS) 205,206) with Tersoff type potentials, 207) supports this proposed mechanism.…”

Section: Formation Mechanism Of Columnar Structurementioning

confidence: 58%

Review and perspective of dry etching and deposition process modeling of Si and Si dielectric films for advanced CMOS device applications

Kuboi

2024

Jpn. J. Appl. Phys.

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Dry etching and deposition of Si and Si dielectric films are critical processes for achieving of high performance in advanced complementary metal-oxide-semiconductor (CMOS) devices. To accurately predict and control fluctuations in these process properties during mass production, it is essential that dry process simulation technology considers various factors. These include fluctuations in plasma-chamber wall interaction, effects of by-products on critical dimensions, Si recess dependence on wafer open area ratios and local pattern structures, the time-dependent distribution of plasma-induced damage associated with feature-scale profiles, and film properties such as density, permeability, and adhesion. Addressing these considerations can overcome issues with conventional simulations that lack the accuracy required for mass production. This paper reviews these advanced simulation technologies and discusses the perspective of fusion physical models with machine learning, incorporating real-time monitoring in manufacturing equipment, known as process informatics. This approach is anticipated to usher in the era of full digital twins.

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“…To discuss the assumed mechanism from the perspective of numerical simulations, classical MD calculations were performed using a large-scale atomic/molecular massively parallel simulator (LAMMPS) 94,95) with Tersoff-type potentials. 96) Figure 14 shows the calculation results for the PECVD process at low temperatures. At first, the initial structure was constructed by random locations of atoms and molecules (SiH, SiH 2 , NH, NH 2 , Si, and N) within a cubic cell with 20 nm long sides.…”

Section: Clarification Of the Mechanismmentioning

confidence: 99%

Modeling and simulation of coverage and film properties in deposition process on large-scale pattern using statistical ensemble method

Kuboi

Matsugai

Tatsumi

et al. 2023

Jpn. J. Appl. Phys.

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This study modeled deposition processes using statistical ensemble and feature scale voxel methods to predict the coverage and film properties on a large-scale pattern for the first time. Certain new concepts, such as the use of probabilities to express physical and chemical phenomena occurring on the surface, interaction among voxels, and super particles for fast calculations, were introduced. Further, the model was used to analyze the experimental characteristic variation between the morphology and film density of SiN in low-temperature plasma-enhanced chemical vapor deposition using a SiH4/NH3/N2 gas mixture with different SiH4 flow rates, which has not been found in SiO2 films. The simulation results demonstrated the effect of precursor mass in the gas phase on the surface migration and morphology formation. In addition, a short residence time was required to prevent generation of large and heavy precursors for realizing good SiN coverage and film properties at the low temperature.

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Defect centers in a-SiNx: electronic and structural properties

Cited by 8 publications

References 0 publications

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Review and perspective of dry etching and deposition process modeling of Si and Si dielectric films for advanced CMOS device applications

Modeling and simulation of coverage and film properties in deposition process on large-scale pattern using statistical ensemble method

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