Quantum chemical formulation of high-Tc superconductivity applied to α-FeSe

Itai Panas

doi:10.1103/PhysRevB.82.064508

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Quantum chemical formulation of high-Tc superconductivity applied to α-FeSe

Itai Panas

DOI 10.1103/PhysRevB.82.064508 · Physical Review B

T1

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Abstract

High-Tc superconductivity (HTS) in the cuprates is revisited and employed to interpret the superconductivity phenomenon in α-FeSe. HTS in α-FeSe is proposed to emerge from accidental near degeneracy among spin zero Fe2+ states on a magnetic sublattice in a magnetically inhomogeneous reference state illustrated by density-functional theory calculations. The spin zero Fe2+ ions sublattice is embedded in a second sublattice, which displays antiferromagnetic order. Existence of the latter enforces the former, and causes the violation of Hund´s rule. Detailed contact with the conceptual understanding of superconductivity in the cuprates is made.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
FeSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	8	Pressure unresolved	unknown
FeSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	39	Pressure not reported	unknown
Sm(O1-xFx)FeAs Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	55	Pressure not reported	unknown