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Danylo Radevych

Publications and source records attributed to Danylo Radevych.

3 recordsLinked to original sources

Superconductivity induced by altermagnetic spin fluctuations in high-pressure MnB$_4$

Recent experiments found superconductivity in nonmagnetic MnB$_4$ with a high critical temperature ($T_{c}$) reaching 14 K at 158 GPa. However, ab initio calculations of the electron-phonon coupling predict a $T_{c}$ below 1 K, suggesting that a conventional mechanism cannot explain this phenomenon. In this Letter, we find that MnB$_4$ is close to an altermagnetic instability in density-functional theory calculations. We propose that the superconductivity is driven by altermagnetic spin fluctuations. To verify the pairing symmetry, we have constructed a two-orbital tight-binding model, where boron states at the Fermi level are integrated out. Using this model, we identify an extended-$s$ symmetry as the leading pairing instability. If confirmed, this will be the first reported case of superconductivity driven by altermagnetic spin fluctuations.

cond-mat.supr-con

EPW-VASP interface for first-principles calculations of electron-phonon interactions

We present an interface between the Vienna \textit{Ab initio} Simulation Package (VASP) and the EPW software for calculating materials properties governed by electron-phonon (e-ph) interactions. Computation of the e-ph matrix elements with the finite-difference supercell approach in VASP and their fine-grid interpolation in EPW enable accurate modeling of temperature-dependent materials properties and phonon-assisted quantum processes with VASP's extensive library of exchange-correlation functionals and pseudopotentials. We demonstrate the functionality of the EPW-VASP interface by examining the superconducting gap and critical temperature in MgB$_2$ using the anisotropic Migdal-Eliashberg equations, and the carrier mobility in cubic BN using the \textit{ab initio} Boltzmann transport equation.

cond-mat.mtrl-sci

Rigid muffin-tin approximation in plane-wave codes for fast modeling of phonon-mediated superconductors

We present a pseudopotential-based plane-wave implementation of the rigid muffin-tin approximation (RMTA), offering a computationally efficient alternative to its traditional use in all-electron codes. This approach enables the evaluation of angular-momentum-resolved electron-phonon matrix elements and McMillan-Hopfield parameters of not only elemental transition metals but also their compounds. The results are benchmarked against full-potential linearized augmented plane wave calculations, showing excellent agreement. We further outline a practical route to extract atom- and symmetry-type-resolved electron-phonon coupling constants. By enabling the use of RMTA descriptors within high-throughput workflows, this framework significantly lowers the computational cost of screening candidate superconductors, providing a valuable tool for materials discovery.

cond-mat.supr-con