C. Falter et al., ROLE OF BONDING REDUCED SCREENING, AND STRUCTURE IN THE HIGH-TEMPERATURE SUPERCONDUCTORS, Physical review. B, Condensed matter, 48(22), 1993, pp. 16690-16706
In this paper we have studied the role of bonding, reduced screening,
and structure in high-temperature superconductors (HTSC) using La2CuO4
as a prototype material. In addition to the ionic and metallic compon
ent of bonding recently investigated, we estimate the influence of cov
alence effects on the structural parameters and the phonon spectrum. A
lso, the effect of a reduced dispersion of the electronic band structu
re on the polarizability and the phonon frequencies is considered and
(hypothetical) mechanisms are investigated, which would favor ferroele
ctricity in the HTSC. In a further topic we deal with reduced screenin
g, introduced by nonadiabatic effects related to the quasi-two-dimensi
onal band structure and its consequence for the electron-phonon intera
ction, the phonon dispersion, and the pairing mechanism. We then focus
our interest on features related to the tetragonal-to-orthorhombic ph
ase transition in La2CuO4. Structural parameters are calculated and th
e influence of the transition on the phonon dispersion as well as on t
he phonon-induced charge fluctuations is discussed. Finally, we presen
t, on the basis of nonlocal electron-phonon interaction of the charge-
fluctuation type, a theoretical interpretation of a universal relation
ship between T(c) and the hole content in the HTSC.