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4 papers · 1 filter
Systematic Study of Electron Localization in an Amorphous Semiconductor
Raymond Atta-Fynn, Parthapratim Biswas, Pablo Ordejon +1
We investigate the electronic structure of gap and band tail states in amorphous silicon. Starting with two 216-atom models of amorphous silicon with defect concentration close to…
Sampling the diffusion paths of a neutral vacancy in Silicon with quantum mechanical calculations
Fedwa El-Mellouhi, Normand Mousseau, Pablo Ordejón
We report a first-principles study of vacancy-induced self-diffusion in crystalline silicon. Starting form a fully relaxed configuration with a neutral vacancy, we proceed to searc…
Effect of band-filling and structural distortions on the Curie temperature of Fe-Mo double perovkites
Carlos Frontera, Diego Rubí, José Navarro +3
By means of high resolution neutron powder diffraction at low temperature we have characterized the structural details of () and…
Curie temperature enhancement of electron doped SrFeMoO perovskites studied by photoemission spectroscopy
J. Navarro, J. Fontcuberta, M. Izquierdo +2
We report here on the electronic structure of electron-doped half-metallic ferromagnetic perovskites such SrLaFeMoO (=0-0.6) as obtained from high-resolved valen…