Research Information System
Thesis Type: Postgraduate
Institution Of The Thesis: Gazi Üniversitesi, Fen Bilimleri Enstitüsü, Turkey
Approval Date: 2016
Student: EMRAH ULUSU
Supervisor: ŞULE UĞUR
Abstract:The aim of this thesis is to investigate structural, electronic, magnetic, elastic and phonon properties of Heusler alloys Cu2MnZ (Z= Al, Si, Ge, Ga, In, Sn, Sb) using the density functional theory calculations. We use the local density approximation (LDA) and generalized gradient approximation (GGA). GGA yieds a better agreement with experimental data for most of the Heusler alloy systems compared to the results of LDA. The calculated lattice constants, bulk modulus, total magnetic moments and elastic constants are in agreement with the previous theoretical calculations and available experimental results. We analyze and compare in detail the electronic properties for these alloys. We have found the Cu2MnZ (Z= Al, Si, Ge, Ga, In, Sn, Sb) are a ferromagnet metallic compounds. Phonon properties of Cu2MnZ (Z= Al, Si, Ge, Ga, In, Sn, Sb) were studied in the direct method. The calculated phonon dispersion curves of Cu2MnAl and Cu2MnIn confirm that these two alloy are dynamically stable in the L21 type sturucture.