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High-T-c SC and CMR made chemically intuitive

Itai Panas (Institutionen för oorganisk miljökemi) ; Rafael Gatt (Institutionen för fysik) ; J.R.T Johnson
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (0022-3697 ). Vol. 59 (1998), 10-12, p. 2230-2232 .
[Artikel, refereegranskad vetenskaplig]

Detailed electronic properties of cluster models of superconducting cuprates have been determined by ab initio quantum chemistry. All near-degeneracy effects are included explicitly in the wave function description. A semi-quantitative understanding of a low-dispersive ‘oxygen metal' band, attenuated by lattice vibrations, and coupled to an antiferromagnetic background in the case of the high-Tc SC materials, is generalized to also include colossal magneto-resistance in the manganites.



Denna post skapades 2010-09-16.
CPL Pubid: 126429

 

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Institutioner (Chalmers)

Institutionen för oorganisk miljökemi (1900-2004)
Institutionen för fysik (1900-2003)

Ämnesområden

Magnetism
Elektronstruktur
Supraledning
Kvantkemi

Chalmers infrastruktur