Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si

Tutkimustuotos: Lehtiartikkeli

Standard

Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si. / Holmström, E.; Haberl, B.; Pakarinen, O. H.; Nordlund, K.; Djurabekova, F.; Arenal, R.; Williams, J. S.; Bradby, J. E.; Petersen, T. C.; Liu, A. C Y.

julkaisussa: Journal of Non-Crystalline Solids, Vuosikerta 438, 15.04.2016, s. 26-36.

Tutkimustuotos: Lehtiartikkeli

Harvard

Holmström, E, Haberl, B, Pakarinen, OH, Nordlund, K, Djurabekova, F, Arenal, R, Williams, JS, Bradby, JE, Petersen, TC & Liu, ACY 2016, 'Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si', Journal of Non-Crystalline Solids, Vuosikerta. 438, Sivut 26-36. https://doi.org/10.1016/j.jnoncrysol.2016.02.008

APA

Holmström, E., Haberl, B., Pakarinen, O. H., Nordlund, K., Djurabekova, F., Arenal, R., ... Liu, A. C. Y. (2016). Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si. Journal of Non-Crystalline Solids, 438, 26-36. https://doi.org/10.1016/j.jnoncrysol.2016.02.008

Vancouver

Author

Holmström, E. ; Haberl, B. ; Pakarinen, O. H. ; Nordlund, K. ; Djurabekova, F. ; Arenal, R. ; Williams, J. S. ; Bradby, J. E. ; Petersen, T. C. ; Liu, A. C Y. / Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si. Julkaisussa: Journal of Non-Crystalline Solids. 2016 ; Vuosikerta 438. Sivut 26-36.

Bibtex - Lataa

@article{3f55afc2d1b94b61bd300b9ce17b4014,
title = "Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si",
abstract = "Variability in the short-intermediate range order of pure amorphous Si synthesized by different experimental and computational techniques is probed by measuring mass density, atomic coordination, bond-angle deviation, and dihedral angle deviation. It is found that there is significant variability in order parameters at these length scales in this archetypal covalently bonded, monoatomic system. This diversity strongly reflects preparation method and thermal history in both experimental and simulated systems. Where experiment and simulation do not quantitatively agree, this is partly due to inherent differences in analysis and time scales. Relaxed forms of amorphous Si quantitatively match continuous random networks generated by a hybrid method of bond-switching Monte Carlo and molecular dynamics simulation. Qualitative trends were identified in other experimental and computed forms of a-Si. Ion-implanted a-Si′s are less ordered than the relaxed forms. Preparation methods which narrowly avoid crystallization such as experimental pressure-induced amorphization or simulated melt-quenching result in the most disordered structures. As no unique form of amorphous Si exists, there can be no single model for the material.",
keywords = "Amorphous Si, Indentation, Irradiation, Molecular dynamics, Preparation history",
author = "E. Holmstr{\"o}m and B. Haberl and Pakarinen, {O. H.} and K. Nordlund and F. Djurabekova and R. Arenal and Williams, {J. S.} and Bradby, {J. E.} and Petersen, {T. C.} and Liu, {A. C Y}",
year = "2016",
month = "4",
day = "15",
doi = "10.1016/j.jnoncrysol.2016.02.008",
language = "English",
volume = "438",
pages = "26--36",
journal = "Journal of Non-Crystalline Solids",
issn = "0022-3093",
publisher = "Elsevier",

}

RIS - Lataa

TY - JOUR

T1 - Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si

AU - Holmström, E.

AU - Haberl, B.

AU - Pakarinen, O. H.

AU - Nordlund, K.

AU - Djurabekova, F.

AU - Arenal, R.

AU - Williams, J. S.

AU - Bradby, J. E.

AU - Petersen, T. C.

AU - Liu, A. C Y

PY - 2016/4/15

Y1 - 2016/4/15

N2 - Variability in the short-intermediate range order of pure amorphous Si synthesized by different experimental and computational techniques is probed by measuring mass density, atomic coordination, bond-angle deviation, and dihedral angle deviation. It is found that there is significant variability in order parameters at these length scales in this archetypal covalently bonded, monoatomic system. This diversity strongly reflects preparation method and thermal history in both experimental and simulated systems. Where experiment and simulation do not quantitatively agree, this is partly due to inherent differences in analysis and time scales. Relaxed forms of amorphous Si quantitatively match continuous random networks generated by a hybrid method of bond-switching Monte Carlo and molecular dynamics simulation. Qualitative trends were identified in other experimental and computed forms of a-Si. Ion-implanted a-Si′s are less ordered than the relaxed forms. Preparation methods which narrowly avoid crystallization such as experimental pressure-induced amorphization or simulated melt-quenching result in the most disordered structures. As no unique form of amorphous Si exists, there can be no single model for the material.

AB - Variability in the short-intermediate range order of pure amorphous Si synthesized by different experimental and computational techniques is probed by measuring mass density, atomic coordination, bond-angle deviation, and dihedral angle deviation. It is found that there is significant variability in order parameters at these length scales in this archetypal covalently bonded, monoatomic system. This diversity strongly reflects preparation method and thermal history in both experimental and simulated systems. Where experiment and simulation do not quantitatively agree, this is partly due to inherent differences in analysis and time scales. Relaxed forms of amorphous Si quantitatively match continuous random networks generated by a hybrid method of bond-switching Monte Carlo and molecular dynamics simulation. Qualitative trends were identified in other experimental and computed forms of a-Si. Ion-implanted a-Si′s are less ordered than the relaxed forms. Preparation methods which narrowly avoid crystallization such as experimental pressure-induced amorphization or simulated melt-quenching result in the most disordered structures. As no unique form of amorphous Si exists, there can be no single model for the material.

KW - Amorphous Si

KW - Indentation

KW - Irradiation

KW - Molecular dynamics

KW - Preparation history

UR - http://www.scopus.com/inward/record.url?scp=84959531921&partnerID=8YFLogxK

U2 - 10.1016/j.jnoncrysol.2016.02.008

DO - 10.1016/j.jnoncrysol.2016.02.008

M3 - Article

VL - 438

SP - 26

EP - 36

JO - Journal of Non-Crystalline Solids

JF - Journal of Non-Crystalline Solids

SN - 0022-3093

ER -

ID: 1708339