Document Type : Research

Authors

Department of Physics, Payame Noor University, Tehran, Iran

10.30473/jphys.2024.71403.1193

Abstract

In this article, electronic properties have been studied by substitution doping of 3d, 4d and 5d metals on PdS2 single layer. The obtained results show that in substitution doping of metals 3d(Sc, Fe), 4d(Y, Ru, Rh) and 5d(Os) instead of a Pd atom has shifted into the VBM, or is located under the CBM and near it, so it has the structure of an acceptor semiconductor. But for doping 3d(Ti, Cr, Co), 4d metals (Zr,Mo) and 5d(Hf,W,Ir,Au) Fermi level has penetrated into the CBM or is located above the VBM and near it, in this case the doped structure plays the role of a donor semiconductor. But the electronic structure of PdS2 Due to the doping of 3d (Ni, Zn), 4d (Pd, Cd) and 5d (Pt, Hg) metals, it is changed and remains a dot semiconductor, as the highest energy gap is related to these metals. Doping 3d metals (V, Mn, Cu), 4d (Nb, Tc, Ag) and 5d (Ta, Re) completely change the electronic structure of the system and the system becomes a conductor. These various changes can be the basis of scientific ideas for making devices be considered spinronic.

Keywords