38 citations · 69 across the 9 of their papers we have counts for
9 papers
Ab initio thermodynamic statistical modeling of the miscibility gap and the metal-insulator phase transition in SrTiVO
Luka Wibmer, Chiara Ostendorf, Dominik Spath +3
The substitutional alloy SrTiVO interpolates between the band insulator SrTiO and the correlated metal SrVO, exhibiting a composition-driven metal--insulato…
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…
Fast Real-Axis Eliashberg Calculations: Full-bandwidth solutions beyond the constant density of states approximation
Alejandro Simon, James Shi, Dominik Spath +10
Experimentally relevant signatures of superconductivity require access to real-frequency quantities, such as the spectral functions, optical response, and transport properties, yet…
Ultrafast dynamics and light-induced superconductivity from first principles
Alejandro Simon, James Shi, Eva Kogler +9
Experiments on superconducting materials have unveiled unique emergent properties when they are driven far from equilibrium. However, a quantitative first-principles treatment that…
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, i…
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…
Ab initio modeling of nonequilibrium dynamics in superconducting detectors and qubits
Alejandro Simon, Reed Foster, Mihir Sahoo +7
Nonequilibrium quasiparticle (QP) and phonon dynamics are central to the operation of superconducting devices. Superconducting detectors, such as the superconducting nanowire singl…
Ab initio modeling of superconducting alloys
Pedro N. Ferreira, Roman Lucrezi, Ivan Guilhon +4
Designing new, technologically relevant superconductors has long been at the forefront of solid-state physics and chemistry research. However, developing efficient approaches for m…
Full-bandwidth anisotropic Migdal-Eliashberg theory and its application to superhydrides
Roman Lucrezi, Pedro P. Ferreira, Samad Hajinazar +4
Migdal-Eliashberg theory is one of the state-of-the-art methods for describing conventional superconductors from first principles. However, widely used implementations assume a con…