Using spherical aberration corrected high-resolution and analytical scanning transmission electron microscopy, we have quantitatively studied the lattice distortion and the redistribution of charges in two-dimensionally strontium (Sr)-doped La2CuO4 superlattices, in which single LaO planes are periodically replaced by SrO planes. As shown previously, such structures show Tc up to 35 K as a cons...

Much progress has been made recently in the study of the effects of electron-phonon (el-ph) coupling in doped insulators using angle resolved photoemission (ARPES), yielding evidence for the dominant role of el-ph interactions in underdoped cuprates. As these studies have been limited to doped Mott insulators, the important question arises how this compares with doped band insulators where simi...

Three-dimensional, commensurate long-range magnetic order in La2CuO4 quickly evolves to quasi-two-dimensional, incommensurate correlations upon doping with mobile holes, and superconductivity follows for x as small 0.05 the La2−xSrx/BaxCuO4 family of superconductors. The onset these systems is known be coincident a remarkable rotation spin from “diagonal stripes” below = “parallel above. Howeve...

The perovskite-structured La2CuO4 nanoparticles have been synthesized via an ultrasonic-assisted co-precipitation route using octanoic acid as organic surfactant, and the phase composition, morphology, lattice parameters and size of nanoparticles are characterized through Fourier transform infrared spectrosco...

Using the Becke-3-LYP functional, we have performed band structure calculations on the high temperature superconductor parent compound, La2CuO4. Under the restricted spin formalism (ρ↑ = ρ↓), the R-B3LYP band structure agrees well with the standard LDA band structure. It is metallic with a single Cu x − y/O pσ band crossing the Fermi level. Under the unrestricted spin formalism (ρ↑ 6= ρ↓), the ...

Methods based on the many-body Green’s function are generally accepted as the path forward beyond Kohn-Sham based density functional theory, in order to compute from first principles electronic structure of materials with strong correlations and excited-state properties in nanoand materials science. Here we present an efficient method to compute the screened Coulomb interaction W, the crucial a...

– The spin-spin correlation length and the static structure factor for bilayer antiferromagnets, such as YBa2Cu3O6, are calculated using field theoretical and numerical methods. It is shown that these quantities can be directly measured in neutron scattering experiments using energy integrated two-axis scan despite the strong intensity modulation perpendicular to the layers. Our calculations sh...