XVII-ICSMV

First-principles calculations for structural, electronic, and phonon properties of H3S, D3S, MgB2 y Nb-bcc conventional superconductors under pressure

Not scheduled

20m

Museo Caracol (Ensenada, México)

Oral Theory and Simulation of Materials THEORY AND SIMULATION OF MATERIALS

Speaker

José Alfredo Camargo Martínez (Universidad Internacional del Trópico Americano - Unitrópico. Grupo de Investigación CIBAIN.)

Description

In this work, we investigated the structural, electronic and phonon properties of H3S, D3S, MgB2 y Nb-bcc conventional superconductors using density functional theory. Our interest is focused on evaluating the effect of pressure on the electronic and phononic properties of some well-known superconducting compounds, with the idea of establishing possible correlations with observed patterns in the functional derivative of Tc with respect to the electron-phonon spectral function α2F(ω), δTc/δα2F(ω), as a function of Tc and pressure. These patterns have already been reported in the literature [1] and appear to have some relationship with the superconducting temperature Tc measured in these systems. This study aims to establish a potential mechanism for a Tc prediction based on the δTc/δα2F(ω).

Reference

J. Camargo-Martínez, F. Mesa, G González-Pedreros . Temperature effects on the calculation of the functional derivative of Tc with respect to α2F(ω), PLoS ONE 18(6) (2023) e0286855. https://doi.org/10.1371/journal.pone.0286855.

This work was supported by

Project CE002-02 Unitrópico 2023