8 papers
Anharmonic lattice dynamics and superconductivity in strained bulk and surface niobium
Mihir Ranjan Sahoo, Roman Lucrezi, Pedro Nunes Ferreira +5
Using first-principles calculations, we investigate how homogeneous strain and crystallographic surface orientation modify the vibrational and superconducting properties of niobium…
First-principles evidence for conventional superconductivity in a quasicrystal approximant
Pedro N. Ferreira, Roman Lucrezi, Sangmin Lee +7
Quasicrystals (QCs) host long-range order without translational symmetry, a regime in which the very foundations of BCS theory are not straightforwardly applicable, yet experiments…
Superhydrides on the way to ambient pressure: weak localization and persistent X-ray photoconductivity in BaSiH
Dmitrii V. Semenok, Di Zhou, Sven Luther +15
Reducing the stabilization pressure of superhydrides represents one of the most important challenges in hydrogen-saturated compound chemistry. Moving in this direction, we studied…
Inverse Isotope Effect in the Ternary Perovskite Hydride SrPdH/D: A Signature of Quantum Zero-Point Fluctuations
Wencheng Lu, Mihir Sahoo, Roman Lucrezi +9
Guided by first-principles calculations, we demonstrate superconductivity in the ternary perovskite hydride SrPdH, synthesized at low pressure. Structural characterization…
Vacancy-free cubic superconducting NbN enabled by quantum anharmonicity
Eva Kogler, Mihir R. Sahoo, Chia-Nien Tsai +10
Niobium nitride (NbN) is renowned for its exceptional mechanical, electronic, magnetic, and superconducting properties. The ideal 1:1 stoichiometric -NbN cubic phase, however,…
IsoME: Streamlining High-Precision Eliashberg Calculations
Eva Kogler, Dominik Spath, Roman Lucrezi +5
This paper introduces the Julia package IsoME, an easy-to-use yet accurate and robust computational tool designed to calculate superconducting properties. Multiple levels of approx…