Features of Valence Electron Density Distribution in Zr–H and Zr–He

Bibliographic Details
Parent link:Advanced Materials Research : Radiation and nuclear techniques in material science: Scientific Journal
Vol. 1084 : Physical-Technical Problems of Nuclear Science, Energy Generation, and Power Industry (PTPAI -2014).— 2015.— [P. 241-245]
Corporate Author: Национальный исследовательский Томский политехнический университет (ТПУ) Физико-технический институт (ФТИ) Кафедра общей физики (ОФ)
Other Authors: Lopatina O. V. Oksana Valerievna, Svyatkin L. A. Leonid Aleksandrovich, Koroteev Yu. M. Yuri Mikhailovich, Chernov I. P. Ivan Petrovich
Summary:Title screen
Ab initio calculations of electronic structures of Zr–H and Zr–He systems have been done. The influence of hydrogen or helium impurities on the electron density distribution of the host metal has been considered. Extremely inhomogeneous redistribution of the metal valence charge density within the first coordination sphere of the impurity was found. The character of the observed anisotropy depends on the impurity type.
Режим доступа: по договору с организацией-держателем ресурса
Published: 2015
Series:Plasma, Microwave, Ion, Electron and Isotope Technologies
Subjects:
Online Access:http://dx.doi.org/10.4028/www.scientific.net/AMR.1084.241
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=640300