Origin of electronic properties of PbGa2Se4 crystal: Experimental and theoretical investigations

In the presented work the structural and electronic properties of the PbGa2Se4 single crystal were investigated experimentally as well as theoretically. The XPS spectra, Urbach's rule and steepness parameters of PbGa2Se4 single crystal have been investigated for the first time. The quantum chemical calculations were also never performed before for the studied structure. The theoretically obtained data help to explain the properties of material.