Electronic structure of zirconium dihydride

S. E. Kul'kova, O. N. Muryzhnikova, K. A. Beketov

Research output: Contribution to journalArticlepeer-review


Using linearized muffin-tin orbitals, with the atomic spheres corrected for overlap, we have performed a selfconsistent calculation of the electronic structure of the cubic phase of zirconium dihydride. We have calculated the electronic structure of nonstoichiometric ZrH1.75. We have studied the effects of a hydrogen vacancy on the electronic characteristics. Assuming a low positron density, we calculated the positron spectrum, the positron lifetime, and the contributions to electron-positron annihilation of various electronic states. We obtained a reasonably good agreement between our theoretical results and the experimental data.

Original languageEnglish
Pages (from-to)786-791
Number of pages6
JournalRussian Physics Journal
Issue number8
Publication statusPublished - 1996
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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