Spectroscopic Properties of the High-Tc Materials by the Ab Initio Quantum Chemistry Paradigm

• The σ-π splitting for an embedded O- ion in a CuO2 plane is estimated and effects of crystal fields are evaluated. High fields favor σ-hole while the π-hole scenario is favored in low lattice fields. The results are discussed in the context of the tow-bands Raman continuum understanding put forward by Monien and Zawadowski2 and argued to support a recently proposed two-bands two-physics mechanism for superconductivity in the cuprates.

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)

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