Point defect engineering strategies to retard phosphorous diffusion in germanium

H. A. Tahini, Alexander I. Chroneos, Robin W. Grimes, Udo Schwingenschlögl, Hartmut A. Bracht

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

The diffusion of phosphorous in germanium is very fast, requiring point defect engineering strategies to retard it in support of technological application. Density functional theory corroborated with hybrid density functional calculations are used to investigate the influence of the isovalent codopants tin and hafnium in the migration of phosphorous via the vacancy-mediated diffusion process. The migration energy barriers for phosphorous are increased significantly in the presence of oversized isovalent codopants. Therefore, it is proposed that tin and in particular hafnium codoping are efficient point defect engineering strategies to retard phosphorous migration. © the Owner Societies 2013.
Original languageEnglish (US)
Pages (from-to)367-371
Number of pages5
JournalPhys. Chem. Chem. Phys.
Volume15
Issue number1
DOIs
StatePublished - 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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