Browsing by Subject "Electronic properties"

Now showing items 1-3 of 3

    • Phthalocyanoruthenium complexes and polymers with bridged ligands 
      Mendizábal Emaldía, Fernando (Elsevier, 2002)
      Electronic properties related to the semiconductivity of monomers and polymers of phthalocyanoruthenium with bidentate bridging ligands, [PcRu(L2)] and [PcRu(L)]n, have been investigated from density functional calculations ...
    • PyProcar: A Python library for electronic structure pre/post-processing 
      Herath, Uthpala; Tavadze, Pedram; He, Xu; Bousquet, Eric; Singh, Sobhit; Muñoz Sáez, Francisco; Romero, Aldo H. (Elsevier, 2020)
      The PyProcar Python package plots the band structure and the Fermi surface as a function of site and/or s,p,d,f - projected wavefunctions obtained for each k-point in the Brillouin zone and band in an electronic structure ...
    • Tellurium vacancy in cadmium telluride revisited: Size effects in the electronic properties 
      Menéndez Proupin, Eduardo; Orellana, W. (Wiley & Sons, 2015)
      The quantum states and thermodynamical properties of the Te vacancy in CdTe are addressed by first principles calculations, including the supercell size and quasiparticle corrections. It is shown that the 64-atoms supercell ...