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The Electronic Structure Of Point Defects. by Gunther K. Wertheim

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1The Electronic Structure Of Point Defects As Determined By Mössbauer Spectroscopy And By Spin Resonance

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  • Title: ➤  The Electronic Structure Of Point Defects As Determined By Mössbauer Spectroscopy And By Spin Resonance
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2Impact Of Point Defects On The Electronic Structure Of Paramagnetic CrN

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This paper presents first principles calculations of paramagnetic cubic CrN$_x$ with the aim to provide deeper insight into recently published transmission electron microscopy-based study on this material. Among several types of point defects which may result in N-deficient material, N vacancy is found to be energetically preferred to Cr interstitial and anti-sites. Electron Energy Loss Near Edge Structure of N K-edge transition is calculated for various concentrations of N vacancies in CrN$_x$, yielding the same trends as experimentally observed. Analysis of the electronic structure reveals decreased charge transfer from Cr sites with increased N vacancy content, hence increasing the metallic character of the defected material. Finally, the electronic structure is found to be strongly dependent on the local environment (i.e. presence of the N vacancies).

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The book is available for download in "texts" format, the size of the file-s is: 0.39 Mbs, the file-s for this book were downloaded 17 times, the file-s went public at Sat Jun 30 2018.

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1The electronic structure of point defects

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“The electronic structure of point defects” Metadata:

  • Title: ➤  The electronic structure of point defects
  • Author:
  • Language: English
  • Number of Pages: Median: 224
  • Publisher: North-Holland Pub. Co.
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  • Publish Location: Amsterdam

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  • First Year Published: 1971
  • Is Full Text Available: Yes
  • Is The Book Public: No
  • Access Status: Borrowable

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