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Density matrix, superconductivity and molecular structure

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Abstract

Starting from Yang's offdiagonal long-range order concept and the macroscopic occupation condition for the second order density matrix as the basis for condensation phenomena we develop the notion that the extremal wave function (EWF), which is related to these conditions, leads to superconductivity in monatomic systems. We prove that the BCS model and the version where it is projected onto a fixed number of particles posesses EWF properties, differs negligibly from the EWF, and conserves offdiagonal ong-range order. The condition for the EWF to be energetically favored is the presence of macroscopic degenerate one-electron energy levels in the system, partial occupation of this degenerate region, and also an effective attraction among the electrons. Considerations are advanced indicating that these conditions are satisfied in the high temperature superconducting metal oxide ceramics, due to the presence of macroscopically degenerate diffuse orbitals distributed among the O− ions in the CuO2 layers, and with the effective screening of these layers by the metal-like La, Ba, Y, or O layers.

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Authors
  1. M. M. Mestechkin
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  2. G. T. Klimko
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  3. G. E. Vaiman
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Additional information

L. M. Litvinenko Institute for Physical-Organic Chemistry and the Chemistry of Coal, Academy of Science of the Ukrainian SSR, Donetsk. Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 27, No. 4, pp. 395–413, July–August, 1991. Original article submitted February 25, 1991.

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Mestechkin, M.M., Klimko, G.T. & Vaiman, G.E. Density matrix, superconductivity and molecular structure. Theor Exp Chem 27, 341–356 (1991). https://doi.org/10.1007/BF01372506

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