A detailed study of the electronic structure and magnetic configurations of the 50% hole-doped double-layered manganite LaSr2Mn2O7 is presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons (i) significantly modifies the electronic structure, magnetic ordering (from FM to AFM), and interlayer exchange interactions, and (ii) promotes strong anisotropy in electrical t...

The electronic and magnetic properties of the ferromagnetic half-metal CrO2 have been studied by using the full-potential linear muffin-tin orbital method within the local-spin-density approximation ~LSDA! and the LSDA1U approach. The orbital magnetic moments are investigated by including the spin-orbit coupling in both schemes. Compared with the orbital contributions to magnetization in other ...

This study presents the effect of local electronic correlations on the Heusler compounds Co2Mn1−xFexSi as a function of the concentration x. The analysis has been performed by means of first-principles band-structure calculations based on the local approximation to spin-density functional theory (LSDA). Correlation effects are treated in terms of the Dynamical Mean-Field Theory (DMFT) and the L...

The electronic structure of YMnO3 in its highand low-temperature hexagonal phases has been investigated within the local spin-density approximation (LSDA) and by the LSDA + U method which takes into account the local Coulomb interaction between d electrons of transitionmetal ions. In contrast to the case for orthorhombic manganites, the d4-configuration degeneracy is already lifted in the high-...

Bacterial levan [β(2,6)–linked polyfructan] has potential applications in the food, bio-energetic, medical, pharmaceutical, and other industries. The lack of technically and economically feasible large-scale production systems limits the commercial exploitation of levan. Gluconacetobacter diazotrophicus secretes a levansucrase (LsdA, EC 2.4.1.10) that synthesizes high levels of levan and fructo...

Recent electronic structure calculations for the title compounds performed by Wu et. al. [1] are critically reconsidered, applying high precision full-potential bandstructure methods. It is shown that the bandstructure calculations presented by the authors contain several important inconsistencies, which make their main conclusions highly questionable. In a recent paper Wu et. al. [1] presented...

Group theoretical analyses are applied to the magnetic and electronic structures of NdNiO3 and YNiO3, whose electronic structures have been studied very recently by the LSDA+U method. The space groups of the crystallographic structure of these materials are Pbnm and P21/n, respectively.[1,2] There are no Jahn-Teller distortion modes consistent with observed propagation vector of spin polarized ...

Locality Sensitive Discriminant Analysis (LSDA) is a recent linear manifold learning method used in pattern recognition and computer vision. Whenever LSDA is used for face image analysis, it suffers from a number of problems including the Small Sample Size (SSS) problem, and that its classification performance seems to be heavily influenced by its parameters. In this paper, we propose two novel...