Electron and positron characteristics of group IV metal dihydrides

S. E. Kulkova, O. N. Muryzhnikova, K. A. Beketov

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11 Citations (Scopus)

Abstract

Self-consistent calculations of the electronic structure of TiH2, ZrH2 and HfH2 were performed by the linear muffin-tin orbital method in the atomic sphere approximation (LMTO-ASA). The band structure of non-stoichiometric ZrH1.75 was calculated as well. The effect of a hydrogen vacancy on the electron characteristics of zirconium dihydride was analyzed. The positron states, lifetime and the contributions of electron states to the electron-positron annihilation (EPA) processes were calculated in low positron density approximation. The results obtained are in satisfactory agreement with the experimental and other theoretical data.

Original languageEnglish
Pages (from-to)1041-1047
Number of pages7
JournalInternational Journal of Hydrogen Energy
Volume21
Issue number11-12 SPEC. ISS.
DOIs
Publication statusPublished - 1996
Externally publishedYes

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Fuel Technology
  • Condensed Matter Physics
  • Energy Engineering and Power Technology

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