{"ID":6449103,"CreatedAt":"2026-07-11T22:35:28.992420397Z","UpdatedAt":"2026-07-11T22:35:28.992420397Z","DeletedAt":null,"paper_url":"https://arxiv.org/abs/1309.6785","arxiv_id":"1309.6785","title":"Electronic Structure of Ordered Double Perovskite Ba2CoWO6","abstract":"Ba2CoWO6 (BCoW) has been synthesized in polycrystalline form by solid state reaction at 1200C. Structural characterization of the compound was done through X-ray diffraction (XRD) followed by Rietveld analysis of the XRD pattern. The crystal structure is cubic, space group Fm-3m (No 225) with the lattice parameter, a=8.210A. Optical band-gap of the present system has been calculated using the UV-Vis Spectroscopy and Kubelka-Munk function, its value being 2.45 eV. A detailed study of the electronic properties has also been carried out using the density functional theory (DFT) techniques implemented on WIEN2k. Importance of electron-electron interaction between the Co ions leading to half-metallic behavior, crystal and exchange splitting together with the hybridization between O and Co, W has been investigated using the total and partial density of states.","url_abs":"https://arxiv.org/abs/1309.6785v1","url_pdf":"https://arxiv.org/pdf/1309.6785v1","authors":"Rajyavardhan Ray, A K Himanshu, Kumar Brajesh, B K Choudhary, S K Bandyopadhyay, Pintu Sen, Uday Kumar, T P Sinha","published":"2013-09-26T10:28:30Z","has_code":false}