Bonding xenon and krypton on the surface of uranium dioxide single crystal

We present density functional theory (DFT) calculation results of krypton and xenon atoms interaction on the surface of uranium dioxide single crystal. A pseudo-potential approach in the generalised gradient approximation (GGA) was applied using the ABINIT program package. To compute the unit cell p...

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Bibliographic Details
Main Authors: Dąbrowski Ludwik, Szuta Marcin
Format: Article
Language:English
Published: Sciendo 2014-08-01
Series:Nukleonika
Subjects:
dft
gga
Online Access:https://doi.org/10.2478/nuka-2014-0013