Strain effects on electronic structure of the iron selenide superconductor

The influence of various strains on crystal and electronic structures of superconducting FeSe has been studied ab initio. We consider changes in the Fermi surface nesting with a vector Q=(0.5,0.5)*(2\pi /a) as crucial for rising superconductivity (SC) mediated by spin-fluctuations (SF). Our results indicate that the c-axis strained FeSe exhibits the most imperfect nesting, which enhances SF and, hence, also SC. In turn, the ab-plane compressive strain slightly weakens this} nesting while the tensile strain destroys it completely. These findings are consistent with reported earlier experimental dependencies of superconducting transition temperatures on strain in FeSe thin films

Electronic structure of CePtIn and LaPtIn compounds

The electronic structure of the ternary RPtIn (R = La, Ce) compounds, which crystallize in the hexagonal ZrNiAl-type structure, was studied by X-ray photoelectron spectroscopy measurements and calculation using the ab initio methods (linear mu n-tin orbital in the atomic sphere approximation, full potential linear mu n-tin orbital, full potential linear orbital). The results showed that the valence band in these compounds is formed by the Pt 5d and In 5s and 5p states. The band calculations with spin orbit coupling have shown that the Ce 4f peaks consist of two peaks above the Fermi level that correspond to the Ce 4f7=2 and 4f5=2 doublet and wide peaks corresponding to the La 4f states. The analysis of Ce 3d spectra on the basis of the Gunnarsson Schönhammer model gives hybridization of 4f orbitals with the conduction electron band equal to 170 meV

Electronic structure of CePtIn and LaPtIn compounds

The electronic structure of the ternary RPtIn (R = La, Ce) compounds, which crystallize in the hexagonal ZrNiAl-type structure, was studied by X-ray photoelectron spectroscopy measurements and calculation using the ab initio methods (linear mu n-tin orbital in the atomic sphere approximation, full potential linear mu n-tin orbital, full potential linear orbital). The results showed that the valence band in these compounds is formed by the Pt 5d and In 5s and 5p states. The band calculations with spin orbit coupling have shown that the Ce 4f peaks consist of two peaks above the Fermi level that correspond to the Ce 4f7=2 and 4f5=2 doublet and wide peaks corresponding to the La 4f states. The analysis of Ce 3d spectra on the basis of the Gunnarsson Schönhammer model gives hybridization of 4f orbitals with the conduction electron band equal to 170 meV

The Pressure Effects on Electronic Structure of Iron Chalcogenide Superconductors FeSe1−x_{1-x}Tex_x

We study the electronic structure of iron-based superconductors FeSe$_{1-x}$Te$_x$ within the density functional theory. We pay particular attention to the pressure effects on the Fermi surface (FS) topology, which seem to be correlated with a critical superconducting temperature TC of iron chalcogenides and pnictides. A reduction of the FS nesting between hole and electron cylinders with increasing pressure is observed, which can lead to higher values of TC . The tellurium substitution into selenium sites yields FS changes similar to the pressure effect.Comment: 4 pages, 6 figures, 1 tabl