Hydrogen and Deuterium Tunneling in Niobium
arXiv:2409.09014 · doi:10.1103/PhysRevB.111.L020103
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.
6 pages, 7 figures
References in corpus (10)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Advanced capabilities for materials modelling with Quantum ESPRESSO
- Quantum ESPRESSO toward the exascale
- Experimental evidence for a surface distribution of two-level systems in superconducting lithographed microwave resonators
- Materials loss measurements using superconducting microwave resonators
- Investigation of microwave loss induced by oxide regrowth in high-Q Nb resonators
- Probing ALPs and the Axiverse with Superconducting Radiofrequency Cavities
- MAGO2.0: Electromagnetic Cavities as Mechanical Bars for Gravitational Waves
- Theory of Disordered Superconductors with Applications to Nonlinear Current Response
- Electromagnetic Response of Disordered Superconducting Cavities