QC209 : Study of the electronic and magnetic properties of transition mextals doped Cadmium Telluride
Thesis > Central Library of Shahrood University > Physics > MSc > 2013
Authors:
Somaye Nikzad [Author], Mortaza Izadifard[Supervisor], Mohammad Ebrahim Ghazi[Supervisor]
Abstarct: In this thesis, we have studied the electronic and magnetic properties of transition mextals (TM) - doped CdTe by Wien2k code. The generalized gradient approximation (GGA) were used for these calculations. Transition mextal elements such as Cr , Mn , Fe and Co were doped in CdTe with amount of %6.25, %12.5 and %25. The energy and bulk modulus of systems were calculated by volume optimization . The reults showed that all compounds except compounds doped with Mn are stable in ferromagnetic phase. The stable phase for Mn doped CdTe was anti- ferromagnetic. Cr, Fe, Co-doped CdTe for ferromagnetic phase and Mn- doped CdTe for anti-ferromagnetic phase showed semi-mextal properties. Moreover, Cd0.75Cr0.25Te compound has biggest bandgap energy. Investigation of density of states for the system showed that in the conduction band TM-3d orbitals hybrid with Te-5p orbitals. In fact these orbitals have a major contribution in the density of states, near to the Fermi energy.
Keywords:
#Cadmium Telluride #Density functional theory #Wien2k #generalized gradient approximation #magnetic properties. Link
Keeping place: Central Library of Shahrood University
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