Stochastic path-integral approach for predicting the superconducting temperatures of anharmonic solids
نویسندگان
چکیده
We develop a stochastic path-integral approach for predicting the superconducting transition temperatures of anharmonic solids. By defining generalized Bloch basis, we generalize formalism approach, which is originally developed liquid systems. implement ab initio calculations using projector augmented-wave method, and apply implementation to estimate metallic deuterium hydrogen sulfide. For deuterium, approximately harmonic, our result coincides well with that obtained from standard based on harmonic approximation density functional perturbation theory. sulfide, find anharmonicity strongly suppresses predicted temperature. Compared self-consistent yields temperature closer experimentally observed one.
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2022
ISSN: ['1098-0121', '1550-235X', '1538-4489']
DOI: https://doi.org/10.1103/physrevb.106.184501