Sep 20 – 25, 2026
University of Graz
Europe/Vienna timezone

Toward a predictive ab initio description of superconductivity in NbN

Sep 24, 2026, 4:30 PM
30m
HS 12.11 (University of Graz)

HS 12.11

University of Graz

12 - Heizhaus, 1st floor
4) Invited talk M24 - Computational Frontiers in Structure Prediction, Lattice Dynamics, and Electron-Phonon Coupling Mini-Colloquium

Speaker

Eva Kogler

Description

NbN is a workhorse superconductor in quantum devices, detectors, and high-field applications, yet a quantitative microscopic description of its structure and superconducting behavior remains incomplete. Predictions of the critical temperature ($T_\text{c}$) are systematically higher than experimental values, indicating missing ingredients in current models. Open questions remain regarding the role of nitrogen vacancies, disorder, low dimensionality, and anharmonicity, and how these factors influence stability, the Eliashberg spectral function $\alpha^2F(\omega)$, and ultimately $T_\text{c}$. Addressing these challenges requires going beyond state-of-the-art approaches, including the use of machine learning potentials to overcome computational limitations.
By examining how subtle structural and dynamical effects shape superconducting properties, this work on NbN bridges first-principles calculations with experimental observables and enables a predictive framework for related superconducting materials.

Author

Eva Kogler

Co-authors

Birgit Kunert Chia-Nien Tsai Chris J. Pickard Christoph Heil (Institute of Theoretical and Computational Physics, Graz University of Technology) Fabian Jöbstl (Universität Wien) Mahmoud I. Hussein Matthew N. Julian Mihir Sahoo (Institute of Theoretical and Computational Physics, Graz University of Technology) Peter I. C. Cooke Rohit Prasankumar (Deep Science Fund, Intellectual Ventures) Roland Resel (Institute of Solid State Physics) Roman Lucrezi

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