Electronic properties of novel 6 K superconductor LiFeP in comparison with LiFeAs from first principles calculations

2009/08/28 by I. R. Shein, A. L. Ivanovskiĭ, A. L. Ivanovskii
Chemistry · Materials Science · Physics and Astronomy · #Chemistry #Computational chemistry #Condensed matter physics #Crystal structure #Crystallography #Density functional theory #Density of states #Electron #Electronic band structure #Electronic structure #Fermi level #Fermi surface #Iron-based superconductors research #Isostructural #Materials science #Physics #Quantum mechanics #Superconductivity #Topology (electrical circuits) #cond-mat.mtrl-sci #cond-mat.supr-con

paper · pdf · doi:10.1016/j.ssc.2009.10.021

9 pages, 3 figures

arxiv created 2009/08/28 · openalex publication_date 2009/10/22 · arxiv updated 2015/05/14 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

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.

Citations

• Generalized Gradient Approximation Made Simple
• The superconductivity at 18 K in LiFeAs system
• A new “111” type iron pnictide superconductor LiFeP
• LiFeAs: An intrinsic FeAs-based superconductor withTc=18 K
• Identifying valence structure in LiFeAs and NaFeAs with core-level spectroscopy
• Superconductivity up to 30 K in the vicinity of the quantum critical point in BaFe2(As1−xPx)2