Theory of hydrogen in silicon carbide

Peter Deák, Adam Gali, Bálint Aradi

Research output: Contribution to journalConference article

10 Citations (Scopus)

Abstract

Interaction of hydrogen atoms is considered with the 'perfect' lattice and with isolated vacancies (V), by means of ab initio model calculations in 3C- and 4H-SiC. We find that interstitial atomic hydrogen acts as a relatively shallow donor in 3C- and as an amphoteric trap in 4H-SiC. Only two H atoms can be by VC and (VC + nH) complexes are hole traps (n=1,2). VSi can in principle be saturated with H but (VSi + nH) complexes are electron traps for n = 1,2. We predict high concentration of mobile, compensating Hi+ centers in p-type material. In n-type SiC the stable form of interstitial hydrogen is H2 (with low solubility) and the dominant hydrogen defects are (VSi + nH) traps. Hi is attracted by shallow acceptors and (VSi + H) but not by shallow donors or (VC + H). Spectroscopic properties of H-related defects have been calculated. We propose that the T5 center is more likely to arise from (VC + 2H)+ than from VC+.

Original languageEnglish
Pages (from-to)421-426
Number of pages6
JournalMaterials Science Forum
Volume353-356
Publication statusPublished - Jan 1 2001

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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    Deák, P., Gali, A., & Aradi, B. (2001). Theory of hydrogen in silicon carbide. Materials Science Forum, 353-356, 421-426.