This article is cited in 3 papers

Mechanical properties, strength physics and plasticity

Electronic structure of the Zr–He system

O. V. Lopatina^a, Yu. M. Koroteev^b, I. P. Chernov<sup>a

a</sup> Tomsk Polytechnic University
^b Institute of Strength Physics and Materials Science, Siberian Branch of the Russian Academy of Sciences, Tomsk

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.

Received: 03.06.2013
Accepted: 20.10.2013

 English version: Physics of the Solid State, 2014, 56:5, 1009–1017

Bibliographic databases:

•