Solubility, Diffusion, and Precipitation of Oxygen Impurities in MgB2

Yanfa Yan, M. M. Al-Jassim

Research output: Contribution to journalArticlepeer-review

14 Scopus Citations

Abstract

We investigate the structure and energetics of native and oxygen-related defects in MgB2. First-principles total-energy calculations reveal that the nonstoichiometry in MgB2 can be very small. Oxygen impurities have high solubility in MgB2 at O-rich growth conditions. However, the presence of excess Mg during the growth can dramatically reduce oxygen incorporation by forming MgO precipitates. Oxygen impurities are found to exist in atomic form in MgB2. Interstitial oxygen atoms are very mobile, with an activation energy of 1.3 eV, indicating that they can be annealed out ex situ in Mg vapor.

Original languageAmerican English
Article numberArticle No. 212503
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number21
DOIs
StatePublished - 9 Jun 2003

NREL Publication Number

  • NREL/JA-520-33152

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