Interaction of hydrogen with impurities in group IVB metals

The energetics of hydrogen bonding with Group IVB metals and the interaction of hydrogen with impurities of 3d-transition and simple metals (Al, Ga, Si, Ge) have been investigated using the projector-augmented-wave (PAW) method within the framework of the density functional theory (DFT). It has been...

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Bibliographic Details
Published in:Physics of the solid state Vol. 57, № 10. P. 1921-1931
Main Author: Spiridonova, Tatiana I.
Other Authors: Bakulin, Alexander V., Kulkova, Svetlana E.
Format: Article
Language:English
Subjects:
Online Access:http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000578029
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