Fermi surface, structural and electronic properties of ThCr2Si2-type charge-balanced KFe2AsSe: A parent system for the group of mixed pnictide-chalcogenide superconductors
Igor R. Shein, Alexander L. Ivanovskii
DOI 10.1103/PhysRevB.84.184509 · Physical Review B
Active bibliographic source — not scientific approval
Bibliographic access preserves source history; it does not approve extracted materials or validate reported claims. Review warnings on each occurrence separately.
Abstract
The ThCr2Si2-type arsenide-selenide phase KFe2AsSe is proposed as a parent system for a new “intermediate” group of Fe-based superconducting materials bridging the known families of Fe-pnictides (such as BaFe2As2) and Fe-chalcogenides (such as KxFe2−ySe2) superconductors (SCs). The characterization of the proposed charge-balanced phase by means of full potential linearized augmented plane waves - generalized gradient approximation (FLAPW-GGA) approach covers the crystal and magnetic structure, As/Se atomic ordering, stability, electronic bands, Fermi surface (FS), and density of electronic states.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| KFe2AsSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 22.6 | Pressure not reported | unknown |
| KFe2AsSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 19.8 | Pressure not reported | unknown |
Similar papers
Effect of doping on electrical, magnetic, and superconducting properties of KxFe2−yS2
similarity 0.92Jiangang Guo et al.
Source status unknown — claims are unverified
Origin of the superconducting state in the collapsed tetragonal phase of KFe2As2
similarity 0.92Daniel Guterding et al.
Source status unknown — claims are unverified
Structural analysis and superconductivity of CeFeAsO1−xHx
similarity 0.91Satoru Matsuishi et al.
Source status unknown — claims are unverified
Bulk Fermi surface of the layered superconductor TaSe3 with three-dimensional strong topological state
similarity 0.91Wei Xia et al.
Source status unknown — claims are unverified
First-principles study of the electronic structure of iron-selenium: Implications for electron-phonon superconductivity
similarity 0.91Alexander P. Koufos et al.
Source status unknown — claims are unverified
Effect of impurity substitution on band structure and mass renormalization of the correlated FeTe0.5Se0.5 superconductor
similarity 0.91S. Thirupathaiah et al.
Source status unknown — claims are unverified