Dielectric response function PdHx system; Bulletin of the Tomsk Polytechnic University; Vol. 309, № 4

Dielectric response function PdHx system; Bulletin of the Tomsk Polytechnic University; Vol. 309, № 4

מידע ביבליוגרפי
Parent link:Bulletin of the Tomsk Polytechnic University/ Tomsk Polytechnic University (TPU).— , 2006-2007
Vol. 309, № 4.— 2006.— [P. 51-55]
מחבר ראשי: Koroteev Yu. M. Yuri Mikhailovich
מחברים אחרים: Girmanova O. V., Chernov I. P. Ivan Petrovich
סיכום:Заглавие с титульного листа
Электронная версия печатной публикации
The calculations of electron structure of pure Pd and PdHx (x=1,2,3) system have been made ab initio in the range of local density approximation. Total energy of PdHx system has been calculated for the cases of different coordination of hydrogen atom (oct-and tetrahedral), the conclusion on their most probable location in metal lattice has been made. In the approximation of constant matrix element the imaginary part of permittivity constant function ε2(ω) has been calculated. It was stated that dissolution of hydrogen in palladium increases values of the function ε2(ω) in the investigated range of energies from 2 to 24 eV. Therefore in the case of radiation impact on PdHx system one can expect intensive excitement of the crystal electron subsystem, and, hence, decrease of potential barriers for hydrogen atom movement.
שפה:אנגלית
יצא לאור: 2006
סדרה:Technical sciences
נושאים:
dielectric functions
systems
local density
electron structures
energy
atoms
hydrogen
radiation impact
intensive excitement
electron subsystems
crystals
potential barriers
труды учёных ТПУ
электронный ресурс
גישה מקוונת:http://www.lib.tpu.ru/fulltext/v/Bulletin_TPU/2006/v309eng/i4/11.pdf
פורמט: אלקטרוני Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=179894

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