Electron Density Distribution of Wurtzite-Type Gallium Nitride by Maximum Entropy Method

Tomohiro Ikeda, Masaki Takata, Makoto Sakata, Janusz Waliszewski, Ludwik Dobrzynski, S. Porowski, J. Jun

Research output: Contribution to journalArticlepeer-review

18 Citations (Scopus)

Abstract

The electron density distribution of wurtzite-type gallium nitride (w-GaN) was obtained by the Maximum Entropy Method (MEM) using the Synchrotron Radiation powder data. Contribution of the very minor zinc blende-type phase (z-GaN) to the observed powder data was eliminated by the modified Rietveld method. In the obtained MEM electron density distribution map, there are two kinds of Ga-N covalent bonds. The electron density at the saddle point of Ga-N bond parallel to [001] axis is 0.5 [e/Å3]. On the other hand, that of the other three equivalent Ga-N bonds are 0.8 [e/Å3]. Furthermore, it is found that the electron distribution of N atom shows asymmetric distortion. These features suggest asymmetric thermal vibrations of N atom which are restricted by Ga-N bonds.

Original languageEnglish
Pages (from-to)4104-4109
Number of pages6
Journaljournal of the physical society of japan
Volume67
Issue number12
DOIs
Publication statusPublished - 1998 Dec
Externally publishedYes

Keywords

  • Electron density
  • GaN
  • Synchrotron radiation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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