TY - JOUR

T1 - Basic electronic properties of iron selenide under variation of structural parameters

AU - Guterding, Daniel

AU - Jeschke, Harald O.

AU - Valenti, Roser

N1 - Publisher Copyright:
Copyright © 2017, The Authors. All rights reserved.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.

PY - 2017/6/12

Y1 - 2017/6/12

N2 - Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO3 system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the electronic structures that could be realized in iron-selenide if the structural parameters could be tuned at liberty. We calculate the momentum-dependence of the susceptibility and investigate the symmetry of electron pairing within the random phase approximation. Both the susceptibility and the symmetry of electron pairing depend on the structural parameters in a nontrivial way. These results are consistent with the known experimental behavior of binary iron chalcogenides and, at the same time, reveal two promising ways of tuning superconducting transition temperatures in these materials. On the one hand by expanding the iron lattice of FeSe at constant iron-selenium distance and, on the other hand, by increasing the iron-selenium distance with unchanged iron lattice.

AB - Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO3 system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the electronic structures that could be realized in iron-selenide if the structural parameters could be tuned at liberty. We calculate the momentum-dependence of the susceptibility and investigate the symmetry of electron pairing within the random phase approximation. Both the susceptibility and the symmetry of electron pairing depend on the structural parameters in a nontrivial way. These results are consistent with the known experimental behavior of binary iron chalcogenides and, at the same time, reveal two promising ways of tuning superconducting transition temperatures in these materials. On the one hand by expanding the iron lattice of FeSe at constant iron-selenium distance and, on the other hand, by increasing the iron-selenium distance with unchanged iron lattice.

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M3 - Article

AN - SCOPUS:85093272148

JO - [No source information available]

JF - [No source information available]

SN - 0402-1215

ER -