The electronic structure of Fe impurity in MgO was calculated by the linear muffin-tin orbital–full-potential method within the conventional local-density approximation (LDA) and making use of the LDA+U formalism. The importance of introducing different potentials, depending on the screened Coulomb integral U , is emphasized for obtaining a physically reasonable ground state of the Fe ion confi...

The electronic properties of paramagnetic V2O3 are investigated by the computational scheme LDA+DMFT(QMC). This approach merges the local density approximation (LDA) with dynamical mean-field theory (DMFT) and uses quantum Monte Carlo simulations (QMC) to solve the effective Anderson impurity model of DMFT. Starting with the crystal structure of metallic V2O3 and insulating (V0.962Cr0.038)2O3 w...

The nature of the weakly dispersive electronic band near the Fermi level observed in photoemission experiments on the diluted magnetic semiconductor GaMnAs is investigated theoretically. The combination of experimental features appears puzzling. We show that the formation of the band is closely related to the presence of the Mn interstitial impurities. The states forming the band have predomina...

This project was aimed at building the transverse dynamical spin susceptibility with the TD-LDA and the recently-developed Quasparticle Self-Consisent Approximations, which determines an optimum quasiparticle picture in a self-consistent manner within the GW approximation. Our main results were published into two papers, (J. Phys. Cond. Matt. 20, 95214 (2008), and Phys. Rev. B83, 060404(R) (201...

We calculate magnetic anisotropy energy of Fe and Ni by taking into account the effects of strong electronic correlations, spin-orbit coupling, and noncollinearity of intra-atomic magnetization. The LDA+U method is used and its equivalence to dynamical mean-field theory in the static limit is emphasized. Both experimental magnitude of magnetic anisotropy energy and direction of magnetization ar...

We report synthesis of single crystalline NaMnAs, confirm its antiferromagnetic order and characterise the sample by photoemission spectroscopy. The electronic structure was studied using optical transmittance, x-ray ultraviolet spectroscopy theoretical modeling local density approximation (LDA) extended to LDA+U when Heisenberg model parameters were determined. Optical transmittance measuremen...

Image Retrieval is very one of the biggest task in the recent years. It is widely used in many real time databases to retrieve related images in various fields like medicine, military, online shopping etc. This paper offers with using radon transform followed by PCA and LDA techniques for image retrieval is called as Combined Radon Space Features Set (CRSFS). Caltech 101 database image sets use...