Publication Date:
2011-03-26
Description:
Author(s): R. Ducher, R. Dubourg, M. Barrachin, and A. Pasturel Ab initio electron theory based on the projector-augmented-wave method in the generalized gradient approximation of the density functional theory is used for calculating formation and migration energies of point defects in uranium monocarbide (UC). The use of the Hubbard term to describe the 5f elec... [Phys. Rev. B 83, 104107] Published Fri Mar 25, 2011
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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