Theoretical study of hydrogen-related complexes in diamond for low-resistive n-type diamond semiconductor

Takeshi Nishimatsu, Hiroshi Katayama-Yoshida, Nozomi Orita

Research output: Contribution to journalConference articlepeer-review

32 Citations (Scopus)

Abstract

We performed local density approximation based ab initio calculations for isolated substitutional impurity (nitrogen, phosphorus, and sulfur), hydrogen at various sites, and hydrogen-related complexes (phosphorus-hydrogen and sulfur-hydrogen) in diamond. Atomic and electronic structures of these point defects are determined. Vibrational frequencies and cohesive energy of the hydrogen-related complexes are estimated. From the knowledge that we obtained with our ab initio calculations, we propose the co-doping method that enable the fabrication of low-resistive n-type diamond.

Original languageEnglish
Pages (from-to)149-154
Number of pages6
JournalPhysica B: Condensed Matter
Volume302-303
DOIs
Publication statusPublished - 2001
EventYanada Conference LIV. 9th International Conference on Shallow-Level Centers in Semiconductors - Awaji Island, Hyogo, Japan
Duration: 2000 Sep 242000 Sep 27

Keywords

  • Defect
  • Impurity
  • Jahn-Teller distortion
  • Vibration

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering

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