Schläfli cluster topological analysis of medium range order in paracrystalline amorphous semiconductor models

M. M.J. Treacy; P. M. Voyles; J. M. Gibson

doi:10.1016/s0022-3093(99)00794-2

Schläfli cluster topological analysis of medium range order in paracrystalline amorphous semiconductor models

M. M.J. Treacy, P. M. Voyles, J. M. Gibson

Research output: Contribution to journal › Conference article › peer-review

36 Scopus citations

Abstract

We show that topologically crystalline regions in computer models of amorphous materials can be identified by examining the Schläfli cluster associated with each atom. The Schläfli cluster contains those atoms that define the Schläfli circuit symbol. Different crystalline topologies that have the same Schläfli circuit symbol may be distinguished by considering the number of atoms in the Schläfli cluster. The diameter of the cubic diamond Schläfli cluster in Ge is ∼0.9 nm, which is typical of the shorter length scales associated with medium range order in amorphous materials. Regions of connected identical Schläfli clusters can be readily identified in models and their combined size provides an intrinsic length scale for describing the medium range order.

Original language	English (US)
Pages (from-to)	150-155
Number of pages	6
Journal	Journal of Non-Crystalline Solids
Volume	266-269 A
DOIs	https://doi.org/10.1016/s0022-3093(99)00794-2
State	Published - May 1 2000
Externally published	Yes
Event	18th International Conference on Amorphous and Microcrystalline Semiconductors - Sicence and Technology (ICAMS 18) - Snowbird, UT, United States Duration: Aug 23 1999 → Aug 27 1999

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Materials Chemistry

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10.1016/s0022-3093(99)00794-2

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title = "Schl{\"a}fli cluster topological analysis of medium range order in paracrystalline amorphous semiconductor models",

abstract = "We show that topologically crystalline regions in computer models of amorphous materials can be identified by examining the Schl{\"a}fli cluster associated with each atom. The Schl{\"a}fli cluster contains those atoms that define the Schl{\"a}fli circuit symbol. Different crystalline topologies that have the same Schl{\"a}fli circuit symbol may be distinguished by considering the number of atoms in the Schl{\"a}fli cluster. The diameter of the cubic diamond Schl{\"a}fli cluster in Ge is ∼0.9 nm, which is typical of the shorter length scales associated with medium range order in amorphous materials. Regions of connected identical Schl{\"a}fli clusters can be readily identified in models and their combined size provides an intrinsic length scale for describing the medium range order.",

author = "Treacy, {M. M.J.} and Voyles, {P. M.} and Gibson, {J. M.}",

note = "Funding Information: We are grateful to Fred Wooten, Rana Biswas, Normand Mousseau and Pawel Keblinski for model coordinates. P.M.V. acknowledges the support of the National Science Foundation under grant DMR 97-03906.; 18th International Conference on Amorphous and Microcrystalline Semiconductors - Sicence and Technology (ICAMS 18) ; Conference date: 23-08-1999 Through 27-08-1999",

year = "2000",

month = may,

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doi = "10.1016/s0022-3093(99)00794-2",

language = "English (US)",

volume = "266-269 A",

pages = "150--155",

journal = "Journal of Non-Crystalline Solids",

issn = "0022-3093",

publisher = "Elsevier",

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TY - JOUR

T1 - Schläfli cluster topological analysis of medium range order in paracrystalline amorphous semiconductor models

AU - Treacy, M. M.J.

AU - Voyles, P. M.

AU - Gibson, J. M.

N1 - Funding Information: We are grateful to Fred Wooten, Rana Biswas, Normand Mousseau and Pawel Keblinski for model coordinates. P.M.V. acknowledges the support of the National Science Foundation under grant DMR 97-03906.

PY - 2000/5/1

Y1 - 2000/5/1

N2 - We show that topologically crystalline regions in computer models of amorphous materials can be identified by examining the Schläfli cluster associated with each atom. The Schläfli cluster contains those atoms that define the Schläfli circuit symbol. Different crystalline topologies that have the same Schläfli circuit symbol may be distinguished by considering the number of atoms in the Schläfli cluster. The diameter of the cubic diamond Schläfli cluster in Ge is ∼0.9 nm, which is typical of the shorter length scales associated with medium range order in amorphous materials. Regions of connected identical Schläfli clusters can be readily identified in models and their combined size provides an intrinsic length scale for describing the medium range order.

AB - We show that topologically crystalline regions in computer models of amorphous materials can be identified by examining the Schläfli cluster associated with each atom. The Schläfli cluster contains those atoms that define the Schläfli circuit symbol. Different crystalline topologies that have the same Schläfli circuit symbol may be distinguished by considering the number of atoms in the Schläfli cluster. The diameter of the cubic diamond Schläfli cluster in Ge is ∼0.9 nm, which is typical of the shorter length scales associated with medium range order in amorphous materials. Regions of connected identical Schläfli clusters can be readily identified in models and their combined size provides an intrinsic length scale for describing the medium range order.

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U2 - 10.1016/s0022-3093(99)00794-2

DO - 10.1016/s0022-3093(99)00794-2

M3 - Conference article

AN - SCOPUS:0001311208

SN - 0022-3093

VL - 266-269 A

SP - 150

EP - 155

JO - Journal of Non-Crystalline Solids

JF - Journal of Non-Crystalline Solids

T2 - 18th International Conference on Amorphous and Microcrystalline Semiconductors - Sicence and Technology (ICAMS 18)

Y2 - 23 August 1999 through 27 August 1999

ER -

Schläfli cluster topological analysis of medium range order in paracrystalline amorphous semiconductor models

Abstract

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