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Quantum chemical fo...
Quantum chemical formulation of high-T-C superconductivity
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- Panas, Itai, 1959 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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(creator_code:org_t)
- 1999
- 1999
- Engelska.
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Ingår i: Journal of Physical Chemistry B Materials. - 1089-5647. ; 103:49, s. 10767-10774
- Relaterad länk:
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https://research.cha...
Abstract
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- A detailed understanding of superconductivity in the cuprates is formulated. A cluster model is defined and evaluated by means of the regularized complete active space self-consistent field method. Signatures of local pair-breaking excitations in a low-dispersive oxygen metal band, attenuated by the nearby buffer ions, and nonadiabatically spin-coupled to a disjoint antiferromagnetic band are quantified and proposed to be consistent with the spin−flip signature of high-TC superconductivity in YBa2Cu3O6+x. Critical properties of the scenario are (i) hole-clustering instabilities producing local angular (D-wave) and radial (S-wave) Cooper instabilities and (ii) nonadiabaticity between local hole cluster states and antiferromagnetism. The cuprates are said to belong to a class of superconductors for which the macroscopic ground state is accessed by means of phase coherent hole cluster resonances. This understanding is illustrated by a real-space BCS-like deduction of the superconducting gap. A microscopic understanding of the order parameter symmetry emerges.
Ämnesord
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- mechanism
- quantum chemistry
- superconductivity
- cuprates
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