DFT CALCULATION ON THE ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF GDM2

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ABEDI BAHRAM; OSATY ERAGHI REZA; YAZDANI AHMAD

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Seminar Paper

Paper Information

Seminar: IRAN PHYSICS CONFERENCE
Year:2005 | Issue:0

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Title

DFT CALCULATION ON THE ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF GDM2

Author(s)

ABEDI BAHRAM | OSATY ERAGHI REZA | YAZDANI AHMAD

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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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APA: Copy

ABEDI, BAHRAM, OSATY ERAGHI, REZA, & YAZDANI, AHMAD. (2005). DFT CALCULATION ON THE ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF GDM₂. IRAN PHYSICS CONFERENCE. SID. https://sid.ir/paper/906729/en

Vancouver: Copy

ABEDI BAHRAM, OSATY ERAGHI REZA, YAZDANI AHMAD. DFT CALCULATION ON THE ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF GDM₂. 2005. Available from: https://sid.ir/paper/906729/en

IEEE: Copy

BAHRAM ABEDI, REZA OSATY ERAGHI, and AHMAD YAZDANI, “DFT CALCULATION ON THE ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF GDM₂,” presented at the IRAN PHYSICS CONFERENCE. 2005, [Online]. Available: https://sid.ir/paper/906729/en

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