Tracing the main elements and electron orbitals that induce superconducting phase transition

Abstract

The experimental determination of the superconducting transition requires the observation of the emergence of zero-resistance and perfect diamagnetism state. Based on the close relationship between superconducting transition temperature (Tc) and electron density of states (DOS), we take two typical superconducting materials Hg and ZrTe3 as samples and calculate their DOS versus temperature under different pressures by using the first-principle molecular dynamics simulations. According to the analysis of the calculation results, the main contributors that induce superconducting transitions are deduced by tracing the variation of partial density of states near Tc. In particular, the microscopic mechanism of pressure increasing Tc is further analyzed.

arXiv comment18 pages, 4 figures

References in corpus (9)

• Superconductivity at 250 K in lanthanum hydride under high pressures
• Discovery of Orbital-Selective Cooper Pairing in FeSe
• Mean-field theory for superconductivity in twisted bilayer graphene
• High-Temperature Superconductivity in Alkaline and Rare Earth Polyhydrides at High Pressure: A Theoretical Perspective
• Tunneling spectroscopy of gate-induced superconductivity in MoS${}_2$
• Structural contributions to the pressure-tuned charge-density-wave to superconductor transition in ZrTe3: Raman scattering studies
• Distinct fingerprints of charge density waves and electronic standing waves in ZrTe${}_3$
• Disorder quenching of the Charge Density Wave in ZrTe3
• Stochastic sampling of the isothermal-isobaric ensemble: phase diagram of crystalline solids from molecular dynamics simulation