Anti-ferromagnetism, spin-phonon interaction and the local-density approximation in high-T${}_C$ superconductors

Abstract

Results from different sets of band calculations for undoped and doped HgBa${}_2$CuO${}_4$ show that small changes in localization can lead to very different ground states. The normal LDA results are compared with 'modified' LDA results, in which different linearization energies make the O-p band more localized. The ground states in the normal calculations are far from the anti-ferromagnetic ones, while nearly AFM states are found in the modified calculations. The proximity of an AFM state in the doped system leads to increased ${\lambda }_{sf}$, and the modified band structure has favorable conditions for spin-phonon coupling and superconductivity mediated by spin fluctuations.

4 pages, 2 figs., Accepted in J. Physics: Condensed Matter as a letter

References in corpus (4)

• Spin fluctuations, electron-phonon coupling and superconductivity in near-magnetic elementary metals; Fe,Co,Ni and Pd
• Ferromagnetic and antiferromagnetic spin fluctuations and superconductivity in the hcp-phase of Fe
• Spin-phonon interaction and band effects in the high-T_C superconductor HgBa_2CuO_4
• Spin-phonon interaction in doped high-T${}_C$ superconductors from density functional calculations

Cited by in corpus (8)

• Effects of spin-phonon interaction on the properties of in high-T${}_C$ superconductors
• Renormalization of f-levels away from the Fermi energy in electron excitation spectroscopies: Density functional results of Nd${}_{2-x}$Ce${}_x$CuO${}_4$
• Properties of high-T${}_C$ copper oxides from the nearly-free electron model
• Spin-phonon coupling, q-dependence of spin excitations and high-T${}_C$ superconductivity from band models
• Effects of excess or deficiency of oxygen content on the electronic structure of high-$T_C$ cuprates
• Electronic structure and properties of superconducting materials with simple Fermi surfaces
• The behavior of f-levels in HCP and BCC rare-earth elements in the ground state and in XPS and BIS spectroscopy from density-functional theory
• Electronic structure, doping, order and disorder in cuprate superconductors