CMT190

Hydrogen and Deuterium Tunneling in Niobium

• Author(s): Abdulaziz Abogoda, W. A. Shelton, I. Vekhter and J. A. Sauls
• Journal: Phys. Rev. B Letters, submitted, (2024). [arXiv]. [HTML]
• Abstract: We use density functional methods to identify the atomic configurations of H and D atoms trapped by O impurities and embedded in bulk Nb. We calculate the double-well potential for O-H and O-D impurities, wave functions, and tunnel splittings for H and D atoms. Our results are in agreement with those obtained from analysis of heat capacity and neutron scattering measurements on Nb with low concentrations of O-H and O-D.

• Comment: 5 pages, 6 figures
• [arXiv].

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