Publication Date:
2016-12-28
Description:
Author(s): R. Nazarov, J. S. Majevadia, M. Patel, M. R. Wenman, D. S. Balint, J. Neugebauer, and A. P. Sutton The elastic dipole tensor is a fundamental quantity relating the elastic field and atomic structure of a point defect. We review three methods in the literature to calculate the dipole tensor and apply them to hydrogen in α -zirconium using density functional theory (DFT). The results are compared wi… [Phys. Rev. B 94, 241112(R)] Published Wed Dec 21, 2016
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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