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

Itai Panas (Institutionen för kemi- och bioteknik, Oorganisk miljökemi)
Physical Review B (1095-3795). Vol. 82 (2010), 6, p. 064508.
[Artikel, refereegranskad vetenskaplig]

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.



Denna post skapades 2010-08-18. Senast ändrad 2011-05-03.
CPL Pubid: 124687

 

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Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Oorganisk miljökemi (2005-2014)

Ämnesområden

Supraledning
Fasta tillståndets kemi
Kvantkemi

Chalmers infrastruktur