Paper Information

Title: 

DFT CALCULATION ON THE ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF GDM2

Type: PAPER
Author(s): ABEDI BAHRAM,OSATY ERAGHI REZA,YAZDANI AHMAD
 
 
 
Name of Seminar: IRAN PHYSICS CONFERENCE
Type of Seminar:  CONFERENCE
Sponsor:  PHYSICS SOCIETY OF IRAN
Date:  2005Volume -
 
 
Abstract: 

ELECTRONIC STRUCTURE CALCULATIONS ARE CARRIED OUT FOR THE GDM2 (M=FE, CO, NI) COMPOUNDS. THE TOTAL ENERGIES FOR FERROMAGNETIC AND FERROMAGNETIC PHASES OF THESE COMPOUNDS ARE CALCULATED AND BEING COMPARED TO EACH OTHER. IT IS SEEN THAT THE FERROMAGNETIC PHASE IS MORE STABLE THAN THE FERROMAGNETIC ONE. USING THE CALCULATED SPIN-DEPENDENT DENSITY OF STATES IT IS SHOWN THAT, DEPENDING ON WHICH TYPE OF TRANSITION METALS IS BEING USED, A FRACTION OF THE CONDUCTION ELECTRONS OF THE COMPOUND ELECTRONS OF THE COMPOUND GETS LOCALIZED ON THE TRANSITION METAL ION, RESULTING IN A REDUCTION OF THE MAGNETIC MOMENT OF THE TRANSITION METAL ION COMPARED TO ITS MAGNETIC MOMENT WHEN IT IS PURE; AND THIS AGREES WITH EXPERIMENT.

 
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