Abstract:  A numerical electronic band structure calculations for sulfides NiS, CuS, and ZnS are  

carried out. Using the results a detailed analysis of a valence states is performed; obtained partial densities of states are compared with X-ray SL _2,3 and

  emission spectra. We showed that spectrum lineshape depends on hybridization strength betweenvarious Me(3d)-orbitals and 3p-states of sulfur. The hybridization strength and the symmetry of hybrid Me(3d)-orbitals are defined by crystal lattice structure. Finally a well splitted in energy bonding and antibonding states Me(3d)-S(3p) appear while weakly hybridized Me(3d)-states mainly contribute to spectra intensity in the energy between them. A good agreement between the theoretical and the experimental spectra of valence band for considered sulfides is obtained 

 

 

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