Abstract:
Electronic, magnetic and optical properties of ZnSe and CdS both of them doped
by different transition metals have been studied in this thesis, using the method of linearized
augmented plane wave (FP- LAPW) based on DFT with the LSDA approximation. Using the
WIEN2k code , for the electronic properties , in most cases, the results obtained showed an
emergence of new states around the Fermi level which are mainly due to the d levels of the
transition metals and appearance of an asymmetry between the high spin and low spin . This
allows the use of these compounds in spintronics. For the magnetic properties, it has been
found that after doping, magnetic materials were obtained except for materials doped by Cu
which doesn’t cause any change of magnetism due to the saturation of the d level. Finally, for
optical properties, we found that after doping, we have the appearance of peaks in lower
frequencies and an offset of optical curves is obtained towards the low frequencies or towards
the high frequencies.
