We present a comprehensive ab initio study of superconductivity in NbTi, the workhorse for many applications. Despite being a "textbook" material, NbTi turns out to be a major challenge for computational superconductivity. In fact, anharmonic effects are crucial to obtain dynamically stable phonons for the ordered bcc phase, unstable at the harmonic level, and beyond-Morel-Anderson effects in the Coulomb interaction reduce the Tc by more than 20%. Lattice disorder causes an additional large discrepancy in Tc compared to experiment. Our results imply that a quantitative description of technologically relevant superconductors requires methodological developments beyond the current standards.

NbTi. A nontrivial puzzle for the conventional theory of superconductivity / Cucciari, Alessio; Naddeo, Dionisia; Di Cataldo, Simone; Boeri, Lilia. - In: PHYSICAL REVIEW. B. - ISSN 2469-9950. - 110:14(2024), pp. 1-6. [10.1103/physrevb.110.l140502]

NbTi. A nontrivial puzzle for the conventional theory of superconductivity

Cucciari, Alessio
Primo
;
Di Cataldo, Simone
Penultimo
;
Boeri, Lilia
Ultimo
Supervision
2024

Abstract

We present a comprehensive ab initio study of superconductivity in NbTi, the workhorse for many applications. Despite being a "textbook" material, NbTi turns out to be a major challenge for computational superconductivity. In fact, anharmonic effects are crucial to obtain dynamically stable phonons for the ordered bcc phase, unstable at the harmonic level, and beyond-Morel-Anderson effects in the Coulomb interaction reduce the Tc by more than 20%. Lattice disorder causes an additional large discrepancy in Tc compared to experiment. Our results imply that a quantitative description of technologically relevant superconductors requires methodological developments beyond the current standards.
2024
superconductivity; anharmonicity; disorder; machine learning interatomic potentials
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NbTi. A nontrivial puzzle for the conventional theory of superconductivity / Cucciari, Alessio; Naddeo, Dionisia; Di Cataldo, Simone; Boeri, Lilia. - In: PHYSICAL REVIEW. B. - ISSN 2469-9950. - 110:14(2024), pp. 1-6. [10.1103/physrevb.110.l140502]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1725445
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