Hydrogen-induced crystallization of amorphous silicon thin films. I. Simulation and analysis of film postgrowth treatment with H 2 plasmas

Saravanapriyan Sriraman, Mayur S. Valipa, Eray Aydil, Dimitrios Maroudas

Research output: Contribution to journalArticle

Abstract

We present a detailed atomic-scale analysis of the postdeposition treatment of hydrogenated amorphous silicon (a-Si:H) thin films with H 2 plasmas. The exposure of a-Si:H films to H atoms from a H 2 plasma was studied through molecular-dynamics (MD) simulations of repeated impingement of H atoms with incident energies ranging from 0.04 to 5.0 eV. Structural and chemical characterizations of the H-exposed a-Si:H films was carried out through a detailed analysis of the evolution of the films' Si-Si pair correlation function, Si-Si-Si-Si dihedral angle distribution, structural order parameter, Si-H bond length distributions, as well as film surface composition. The structural evolution of the a-Si:H films upon exposure to H atoms showed that the films crystallize to form nanocrystalline silicon at temperatures over the range of 500-773 K, i.e., much lower than those required for crystallization due to thermal annealing. The MD simulations revealed that during H exposure of a-Si: H the reactions that occur include surface H adsorption, surface H abstraction, etching of surface silicon hydrides, dangling-bond-mediated dissociation of surface hydrides, surface H sputtering/desorption, diffusion of H into the a-Si:H film, and insertion of H into strained Si-Si bonds.

Original languageEnglish (US)
Article number053514
JournalJournal of Applied Physics
Volume100
Issue number5
DOIs
StatePublished - Sep 27 2006

Fingerprint

amorphous silicon
crystallization
hydrogen
thin films
simulation
hydrides
molecular dynamics
atoms
impingement
silicon
dihedral angle
insertion
sputtering
desorption
etching
dissociation
annealing
adsorption

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Hydrogen-induced crystallization of amorphous silicon thin films. I. Simulation and analysis of film postgrowth treatment with H 2 plasmas. / Sriraman, Saravanapriyan; Valipa, Mayur S.; Aydil, Eray; Maroudas, Dimitrios.

In: Journal of Applied Physics, Vol. 100, No. 5, 053514, 27.09.2006.

Research output: Contribution to journalArticle

@article{ee7650b70277423d9bb7d2e2ca1c2a6e,
title = "Hydrogen-induced crystallization of amorphous silicon thin films. I. Simulation and analysis of film postgrowth treatment with H 2 plasmas",
abstract = "We present a detailed atomic-scale analysis of the postdeposition treatment of hydrogenated amorphous silicon (a-Si:H) thin films with H 2 plasmas. The exposure of a-Si:H films to H atoms from a H 2 plasma was studied through molecular-dynamics (MD) simulations of repeated impingement of H atoms with incident energies ranging from 0.04 to 5.0 eV. Structural and chemical characterizations of the H-exposed a-Si:H films was carried out through a detailed analysis of the evolution of the films' Si-Si pair correlation function, Si-Si-Si-Si dihedral angle distribution, structural order parameter, Si-H bond length distributions, as well as film surface composition. The structural evolution of the a-Si:H films upon exposure to H atoms showed that the films crystallize to form nanocrystalline silicon at temperatures over the range of 500-773 K, i.e., much lower than those required for crystallization due to thermal annealing. The MD simulations revealed that during H exposure of a-Si: H the reactions that occur include surface H adsorption, surface H abstraction, etching of surface silicon hydrides, dangling-bond-mediated dissociation of surface hydrides, surface H sputtering/desorption, diffusion of H into the a-Si:H film, and insertion of H into strained Si-Si bonds.",
author = "Saravanapriyan Sriraman and Valipa, {Mayur S.} and Eray Aydil and Dimitrios Maroudas",
year = "2006",
month = "9",
day = "27",
doi = "10.1063/1.2229426",
language = "English (US)",
volume = "100",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics Publising LLC",
number = "5",

}

TY - JOUR

T1 - Hydrogen-induced crystallization of amorphous silicon thin films. I. Simulation and analysis of film postgrowth treatment with H 2 plasmas

AU - Sriraman, Saravanapriyan

AU - Valipa, Mayur S.

AU - Aydil, Eray

AU - Maroudas, Dimitrios

PY - 2006/9/27

Y1 - 2006/9/27

N2 - We present a detailed atomic-scale analysis of the postdeposition treatment of hydrogenated amorphous silicon (a-Si:H) thin films with H 2 plasmas. The exposure of a-Si:H films to H atoms from a H 2 plasma was studied through molecular-dynamics (MD) simulations of repeated impingement of H atoms with incident energies ranging from 0.04 to 5.0 eV. Structural and chemical characterizations of the H-exposed a-Si:H films was carried out through a detailed analysis of the evolution of the films' Si-Si pair correlation function, Si-Si-Si-Si dihedral angle distribution, structural order parameter, Si-H bond length distributions, as well as film surface composition. The structural evolution of the a-Si:H films upon exposure to H atoms showed that the films crystallize to form nanocrystalline silicon at temperatures over the range of 500-773 K, i.e., much lower than those required for crystallization due to thermal annealing. The MD simulations revealed that during H exposure of a-Si: H the reactions that occur include surface H adsorption, surface H abstraction, etching of surface silicon hydrides, dangling-bond-mediated dissociation of surface hydrides, surface H sputtering/desorption, diffusion of H into the a-Si:H film, and insertion of H into strained Si-Si bonds.

AB - We present a detailed atomic-scale analysis of the postdeposition treatment of hydrogenated amorphous silicon (a-Si:H) thin films with H 2 plasmas. The exposure of a-Si:H films to H atoms from a H 2 plasma was studied through molecular-dynamics (MD) simulations of repeated impingement of H atoms with incident energies ranging from 0.04 to 5.0 eV. Structural and chemical characterizations of the H-exposed a-Si:H films was carried out through a detailed analysis of the evolution of the films' Si-Si pair correlation function, Si-Si-Si-Si dihedral angle distribution, structural order parameter, Si-H bond length distributions, as well as film surface composition. The structural evolution of the a-Si:H films upon exposure to H atoms showed that the films crystallize to form nanocrystalline silicon at temperatures over the range of 500-773 K, i.e., much lower than those required for crystallization due to thermal annealing. The MD simulations revealed that during H exposure of a-Si: H the reactions that occur include surface H adsorption, surface H abstraction, etching of surface silicon hydrides, dangling-bond-mediated dissociation of surface hydrides, surface H sputtering/desorption, diffusion of H into the a-Si:H film, and insertion of H into strained Si-Si bonds.

UR - http://www.scopus.com/inward/record.url?scp=33748915067&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33748915067&partnerID=8YFLogxK

U2 - 10.1063/1.2229426

DO - 10.1063/1.2229426

M3 - Article

AN - SCOPUS:33748915067

VL - 100

JO - Journal of Applied Physics

JF - Journal of Applied Physics

SN - 0021-8979

IS - 5

M1 - 053514

ER -