Molecular dynamics simulations of grain boundaries in thin nanocrystalline silicon films

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Description

Using molecular dynamics simulations, the grain boundaries in thin polycrystalline silicon films (considered as promising material for future nanoelectronic devices) are investigated. It is shown that in polysilicon film with randomly oriented grains the majority of grain boundaries are disordered. However, some grains with small mutual orientation differences can form extended crystalline patterns. The structure of the grain boundaries satisfies the thermodynamical criterion. The majority of atoms in the grain boundaries are tetrahedrally coordinated with the nearest neighbors, even though the grain boundaries are disordered. The grain boundary matter is characterized as an amorphous phase with a characteristic tetragonality value.

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26 p.

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Berman, G.P.; Doolen, G.D.; Mainieri, R.; Campbell, D.K. & Luchnikov, V.A. October 1, 1997.

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Description

Using molecular dynamics simulations, the grain boundaries in thin polycrystalline silicon films (considered as promising material for future nanoelectronic devices) are investigated. It is shown that in polysilicon film with randomly oriented grains the majority of grain boundaries are disordered. However, some grains with small mutual orientation differences can form extended crystalline patterns. The structure of the grain boundaries satisfies the thermodynamical criterion. The majority of atoms in the grain boundaries are tetrahedrally coordinated with the nearest neighbors, even though the grain boundaries are disordered. The grain boundary matter is characterized as an amorphous phase with a characteristic tetragonality value.

Physical Description

26 p.

Notes

OSTI as DE98003004

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  • Ultra electronics and advanced microelectronics program review meeting, Santa Fe, NM (United States), 26-31 Oct 1997

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  • Other: DE98003004
  • Report No.: LA-UR--97-4273
  • Report No.: CONF-9710155--
  • Grant Number: W-7405-ENG-36
  • DOI: 10.2172/292865 | External Link
  • Office of Scientific & Technical Information Report Number: 292865
  • Archival Resource Key: ark:/67531/metadc678813

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  • October 1, 1997

Added to The UNT Digital Library

  • July 25, 2015, 2:20 a.m.

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  • July 28, 2016, 7:20 p.m.

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Berman, G.P.; Doolen, G.D.; Mainieri, R.; Campbell, D.K. & Luchnikov, V.A. Molecular dynamics simulations of grain boundaries in thin nanocrystalline silicon films, report, October 1, 1997; New Mexico. (digital.library.unt.edu/ark:/67531/metadc678813/: accessed September 25, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.