学术文献库

Several current searches for physics beyond the standard model are based on measuring the electron capture (EC) decay of radionuclides implanted into cryogenic high-resolution sensors. The sensitivity of these experiments has already reached the level where systematic effects related to atomic-state energy changes from the host material are a limiting factor. One example is a neutrino mass study based on the nuclear EC decay of $^7$Be to $^7$Li inside cryogenic Ta-based sensors. To understand the material effects at the required level we have used density functional theory and modeled the electronic structure of lithium atoms in different atomic environments of the polycrystalline Ta absorber film. The calculations reveal that the Li 1s binding energies can vary by more than 2 eV due to insertion at different lattice sites, at grain boundaries, in disordered Ta, and in the vicinity of various impurities. However, the total range of Li 1s shifts does not exceed 4 eV, even for extreme amorphous disorder. Further, when investigating the effects on the Li 2s levels, we find broadening of more than 5 eV due to hybridization with the Ta band structure. Materials effects are shown to contribute significantly to peak broadening in Ta-based sensors that are used to search for physics beyond the standard model in the EC decay of $^7$Be, but they do not explain the full extent of observed broadening. Understanding these in-medium effects will be required for current- and future-generation experiments that observe low-energy radiation from the EC decay of implanted isotopes to evaluate potential limitations on the measurement sensitivity.