Electrically inactive poly-silicon grain boundaries

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Structures, energies, and electronic properties of symmetric [001] tilt grain boundaries in Si have been studied using Stillinger-Weber and Tersoff classical potentials, and semi-empirical (tight-binding) electronic structure methods. The calculated lowest energy (310) grain boundary structure and electronic properties are consistent with previous TEM measurement and calculations. For the controversial (710) grain boundaries, the tight-binding calculations do not show any electronic energy levels in the band gap. This indicates that with every atom fully fourfold coordinated, the (710) grain boundary should be electrically inactive. Some high-energy metastable grain boundaries were found to be electrically active by the presence of the ... continued below

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16 p.

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Chen, S.P.; Kress, J.D.; Voter, A.F. & Albers, R.C. May 1, 1996.

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Description

Structures, energies, and electronic properties of symmetric [001] tilt grain boundaries in Si have been studied using Stillinger-Weber and Tersoff classical potentials, and semi-empirical (tight-binding) electronic structure methods. The calculated lowest energy (310) grain boundary structure and electronic properties are consistent with previous TEM measurement and calculations. For the controversial (710) grain boundaries, the tight-binding calculations do not show any electronic energy levels in the band gap. This indicates that with every atom fully fourfold coordinated, the (710) grain boundary should be electrically inactive. Some high-energy metastable grain boundaries were found to be electrically active by the presence of the levels introduced in the band gap. Also, the vacancy concentration at the (310) GB was found to be enhanced by many orders of magnitude relative to bulk. The dangling bond states of the vacancies should be electrically active.

Physical Description

16 p.

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OSTI as DE96008152

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  • 4. international symposium on process physics and modeling in semiconductor technology, Los Angeles, CA (United States), 5-10 May 1996

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  • Other: DE96008152
  • Report No.: LA-UR--96-0425
  • Report No.: CONF-9605155--1
  • Grant Number: W-7405-ENG-36
  • Office of Scientific & Technical Information Report Number: 231590
  • Archival Resource Key: ark:/67531/metadc670893

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  • May 1, 1996

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  • June 29, 2015, 9:42 p.m.

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  • Feb. 25, 2016, 4:15 p.m.

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Chen, S.P.; Kress, J.D.; Voter, A.F. & Albers, R.C. Electrically inactive poly-silicon grain boundaries, article, May 1, 1996; New Mexico. (digital.library.unt.edu/ark:/67531/metadc670893/: accessed August 21, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.