Facet stability of GaN during tri-halide vapor phase epitaxy: anab initio-based approach

Daichi Yosho, Yuriko Matsuo, Akira Kusaba, Pawel Kempisty, Yoshihiro Kangawa, Hisashi Murakami, Akinori Koukitu

Research output: Contribution to journalArticlepeer-review

Abstract

Anab initio-based approach is used to investigate the facet stability of GaN during tri-halide vapor phase epitaxy (THVPE). First, surface reconstructions are analyzed to create surface phase diagrams as a function of the gaseous pressure and temperature. Next, a triangular wedge model is used to compute absolute surface formation energies with the bulk state as a reference. A Wulff construction is used to predict the crystal growth form composed of energetically preferred facets. The calculated results can be used to control the shape of GaN grown by THVPE.

Original languageEnglish
Pages (from-to)1423-1428
Number of pages6
JournalCrystEngComm
Volume23
Issue number6
DOIs
Publication statusPublished - Feb 14 2021

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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