Structural and electronic properties of new "122" pnictogen-free superconductor SrPd2Ge2 as compared with SrNi2Ge2 and SrNi2As2: first principles calculations

TL;DR

This study uses first-principles calculations to analyze the electronic structure of the newly discovered pnictogen-free superconductor SrPd2Ge2 and compares it with related compounds to understand its properties.

Contribution

It provides the first detailed electronic structure analysis of SrPd2Ge2, highlighting differences from similar pnictogen-based superconductors.

Findings

Electronic band structure of SrPd2Ge2 characterized

Fermi surface topology compared with SrNi2Ge2 and SrNi2As2

Insights into the electronic factors influencing superconductivity

Abstract

Very recently the new low-temperature (TC ~ 3K) superconductor (SC) SrPd2Ge2 has been reported. This compound is isostructural with curently intensively studied group of so-called "122" SC's (based on tetragonal AM2Pn2 phases, where A are Sr, Ba; M are d metals and Pn are pnictogens: As or P), but it is pnictogen-free. Here, by means of first-principle FLAPW-GGA calculations, we have studied the electronic structure of new SC SrPd2Ge2. The band structure, total and partial densities of states and Fermi surface topology for SrPd2Ge2 are evaluated and discussed in comparison with those of isostructural SrNi2Ge2 and SrNi2As2 phases.