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Mauludi Ariesto Pamungkas
Jurusan Fisika, FMIPA - Universitas Brawijaya
Humanities Automotive Engineering Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Earth & Planetary Sciences Economics, Econometrics & Finance Education Electrical & Electronics Engineering Engineering Environmental Science Industrial & Manufacturing Engineering Materials Science & Nanotechnology Mathematics Mechanical Engineering Medicine & Pharmacology Physics Social Sciences Other

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Journal : The Journal of Pure and Applied Chemistry Research

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Nitrogenation of Amorphous Silicon : Reactive Molecular Dynamics Simulations Mauludi Ariesto Pamungkas; Choirun Nisa; Istiroyah Istiroyah; Abdurrouf Abdurrouf
The Journal of Pure and Applied Chemistry Research Vol 8, No 3 (2019): Edition September-December 2019
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2019.008.03.487

Abstract

Since silicon nitride (SiNx) film is more stable than SiO2, silicon nitride, thus it is widely used in semiconductor industry as an insulatorlayer. The study of nitrogenation process of a-Si was performed using molecular dynamics simulations to determine the properties of the bonds created in the structure of a-SiNx. Reactive force field (Reaxff) was used as potential in this molecular dynamic simulation owing to its ability to describe charge transfer as well as breaking and formation of atomic bonds. The structure of a-Si is obtained by melting the crystalline silicon at temperature of 3500 K followed by quenching to room temperature. The nitrogenation process was carried out by randomly distributing 900 N atoms over the a-Si surface for 60 ps at temperature varied from 300 K, 600 K, 900 K, and 1200 K. The higher the temperature nitrogenation applied in the system, the more number of N atoms adsorbed, resulting in a deeper penetration depth of Nitrogen atom. Amorphization and nitrogenation changed the distribution of coordination number of Ni, Si, and O atoms. Transfer of electrons from silicon to nitrogen occurs only in the nearest nitrogen atom with silicon atom.
Co-Authors - - Abdurrouf A. B. Gien Abdurrouf Abdurrouf Adi Susilo Agus Naba Alamsyah M. Juwono Choirun Nisa D. J. D. H. Santjojo D.J. Djoko Hari Satjojo Dzarril Maulidiyah Ervinka Felindia F. S. Farista Felindia, Ervinka Hadila, Silvi Hidayah, Irfan Fajar Hidayah, Irvan Fajar Irvan Fajar Hidayah Istiroyah Istiroyah Istiroyah Istiroyah Juwono, Alamsyah M. Kumara, Satria Pamungkas Panji Kurriawan Budi Pranata Kurriawan Budi Pranata Kurriawan Budi Pranata, Kurriawan Budi Muhammad Fathur Rouf Hasan Muhammad Ghufron Muhammad Ghufron Muhammad Ghufron Nikita Syaharani Nur Khairati Pranata, Kurriawan Rendra Widiyatmoko Satria Pamungkas Panji Kumara Silvi Hadila Syaharani, Nikita Ubaidillah - Wafa Maftuhin Wafa Maftuhin, Wafa Yudianto, Didik Yuni Triasari