About: Ab initio density functional theory study of non-polar (10-10), (11-20) and semipolar {20-21} GaN surfaces     Goto   Sponge   NotDistinct   Permalink

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  • The atomic structures of non-polar GaN(10 -10), (11 -20) and semipolar GaN(20 -21), (20 -2-1) surfaces were studied using ab initio calculations within density functional theory. The bulk-like truncated (1x 1) structure with buckled Ga-N or Ga-Ga dimers was found stable on the non-polar surfaces in agreement with previous works. The formation of vacancies and substitution site defects was found unfavorable for non-polar GaN surfaces. Semipolar GaN{20 -21} surfaces consist of non-polar and semipolar nano-facets. The stability of the surfaces with nano-facets was analyzed.
  • The atomic structures of non-polar GaN(10 -10), (11 -20) and semipolar GaN(20 -21), (20 -2-1) surfaces were studied using ab initio calculations within density functional theory. The bulk-like truncated (1x 1) structure with buckled Ga-N or Ga-Ga dimers was found stable on the non-polar surfaces in agreement with previous works. The formation of vacancies and substitution site defects was found unfavorable for non-polar GaN surfaces. Semipolar GaN{20 -21} surfaces consist of non-polar and semipolar nano-facets. The stability of the surfaces with nano-facets was analyzed. (en)
Title
  • Ab initio density functional theory study of non-polar (10-10), (11-20) and semipolar {20-21} GaN surfaces
  • Ab initio density functional theory study of non-polar (10-10), (11-20) and semipolar {20-21} GaN surfaces (en)
skos:prefLabel
  • Ab initio density functional theory study of non-polar (10-10), (11-20) and semipolar {20-21} GaN surfaces
  • Ab initio density functional theory study of non-polar (10-10), (11-20) and semipolar {20-21} GaN surfaces (en)
skos:notation
  • RIV/68378271:_____/14:00432522!RIV15-AV0-68378271
http://linked.open...avai/riv/aktivita
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  • I
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  • 20
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  • 1305
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  • RIV/68378271:_____/14:00432522
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  • non-polar GaN; semipolar GaN; surface reconstructions; DFT (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [E4ACDCA0F3F5]
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  • Journal of Applied Physics
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  • 115
http://linked.open...iv/tvurceVysledku
  • Romanyuk, Olexandr
  • Mutombo, Pingo
http://linked.open...ain/vavai/riv/wos
  • 000337143500024
issn
  • 0021-8979
number of pages
http://bibframe.org/vocab/doi
  • 10.1063/1.4879675
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