Structure, energy, and electronic properties of the {Sigma} = 13 {l_brace}510{r_brace} tilt grain boundary structure in Si

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The authors have examined a variety of structures for the {l_brace}510{r_brace} symmetric tilt boundary in Si, using first-principles calculations. These calculations show that the observed structure in Si is the lowest energy structure. This structure is more complicated than what is necessary to preserve four-fold coordination. They compare the results to classical and tight-binding models, in order to test these empirical approaches.

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6 p.

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Morris, J.R.; Lu, Z.Y.; Ring, D.M.; Xiang, J.B.; Ho, K.M.; Wang, C.Z. et al. December 31, 1997.

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  • Ames Laboratory
    Publisher Info: Ames Lab., IA (United States)
    Place of Publication: Iowa

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Description

The authors have examined a variety of structures for the {l_brace}510{r_brace} symmetric tilt boundary in Si, using first-principles calculations. These calculations show that the observed structure in Si is the lowest energy structure. This structure is more complicated than what is necessary to preserve four-fold coordination. They compare the results to classical and tight-binding models, in order to test these empirical approaches.

Physical Description

6 p.

Notes

OSTI as DE99002539

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  • 1997 fall meeting of the Materials Research Society, Boston, MA (United States), 1-5 Dec 1997

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  • Other: DE99002539
  • Report No.: IS-M--877
  • Report No.: CONF-971201--
  • Grant Number: W-7405-ENG-82
  • Office of Scientific & Technical Information Report Number: 348930
  • Archival Resource Key: ark:/67531/metadc678273

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  • December 31, 1997

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  • July 25, 2015, 2:20 a.m.

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  • Nov. 6, 2015, 8:59 p.m.

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Morris, J.R.; Lu, Z.Y.; Ring, D.M.; Xiang, J.B.; Ho, K.M.; Wang, C.Z. et al. Structure, energy, and electronic properties of the {Sigma} = 13 {l_brace}510{r_brace} tilt grain boundary structure in Si, article, December 31, 1997; Iowa. (digital.library.unt.edu/ark:/67531/metadc678273/: accessed June 22, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.