Electronic structure of the Zr-He system

Oxana Valerievna Lopatina, Yury Mikhaylovich Koroteev, I. P. Chernov

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Ab initio calculations of the electronic structure of hexagonal close-packed and face-centered cubic zirconium with the impurity of helium atoms of about 6 at % have been performed. It has been established that the presence of helium significantly changes the electronic structure of zirconium and leads to a considerable redistribution of its electron density. Calculated values of chemical shifts of the core states of Zr atoms due to the presence of helium atoms in its lattice have been discussed.

Original languageEnglish
Pages (from-to)1009-1017
Number of pages9
JournalPhysics of the Solid State
Volume56
Issue number5
DOIs
Publication statusPublished - 1 Jan 2014

Fingerprint

Helium
helium atoms
Electronic structure
electronic structure
Zirconium
Atoms
chemical equilibrium
helium
Chemical shift
impurities
Carrier concentration
Impurities
atoms

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Electronic structure of the Zr-He system. / Lopatina, Oxana Valerievna; Koroteev, Yury Mikhaylovich; Chernov, I. P.

In: Physics of the Solid State, Vol. 56, No. 5, 01.01.2014, p. 1009-1017.

Research output: Contribution to journalArticle

Lopatina, Oxana Valerievna ; Koroteev, Yury Mikhaylovich ; Chernov, I. P. / Electronic structure of the Zr-He system. In: Physics of the Solid State. 2014 ; Vol. 56, No. 5. pp. 1009-1017.
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