Exploring the Interdependence between Electronically Unfavorable Situations and Pressure in a Chalcogenide Superconductor

Abstract

The development of solids with the requested chemical and physical properties requires a thorough understanding of their electronic structures, as proper knowledge of the electronic structure of a given solid provides invaluable information regarding its properties. In this context, recent research on two competing sorts of electronic instabilities in chalcogenide superconductors stimulated us to explore the interdependence between these instabilities and another aspect, pressure, which was previously shown to influence the presence of a superconducting state in diverse solids. To accomplish our goal, we carried out pressure-dependent examinations of the electronic structures of two tellurides, YTe and YTe0.97, which were inspected as prototypes in our explorations based on quantum-chemical means. In addition to our pressure-dependent explorations of the electronic structures, we also performed chemical bonding analyses to reveal the subtle interplay between pressure and two sorts of electronically unfavorable situations.