" The Physics Department holds a lecture entitled: "THEORETICAL STUDY OF THE ELECTRONIC AND MAGNETIC PROPERTIES OF FULL HEUSLER ALLOYS FROM FIRST PRINCIPLES"

On 16 February 2011, The Physics Department holds a lecture entitled: "THEORETICAL STUDY OF THE ELECTRONIC AND MAGNETIC PROPERTIES OF FULL HEUSLER ALLOYS FROM FIRST PRINCIPLES," delivered by Ms. Yasmeen Qawasmeh from the University of Jordan.

Abstract:

Density functional theory (DFT) calculations are performed to investigate the structural, electronic, magnetic and elastic properties of bulk full Heusler alloys Ni2MnX (X = B, Al, Ga, In) and Ni2FeX (X= Al, Ga). The calculations are treated using the full potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) for the exchange correlation potential. The alloys are found to be metallic ferromagnets with total magnetic moments of about 4μB/f.u. and 3 μB/f.u for Ni2MnX and Ni2FeX alloys, respectively. The electron spin polarizations are found to be around 30% and 50% for Ni2MnX and Ni2FeX alloys, respectively. The most contribution of the total magnetic moment of the alloys comes from Mn and Fe atoms, whereas Ni atoms exhibit much smaller magnetic moments and Z atoms have induced magnetic moments, which are coupled antifferomagnetically with Ni, Mn and Fe.