Comparison of Electronic and Magnetic Properties of 4d Transition Metals Based NbAl2F4 and TcAl2F4 Spinels
نویسندگان
چکیده
Half-metallic properties of NbAl2F4 spinel and semiconductor characteristics TcAl2F4 were investigated with the help WIEN2k program. shows a metallic character in up-electron states, while it has nature down-electron states. In spinel, Eg bandgaps calculated GGA GGA+mBJ 1.551 eV 1.622 eV, respectively. The EHM half-metallic obtained 0.410 0.422 up-spin states values 1.199 1.447 for methods, respectively, they 1.281 1.519 down-spin When is used, easily observed that characters increase. Total magnetic moments spinels 6.00 µB/cell 10.0 µB/cell, both electronic moment are carefully examined, can be used as alternative compounds spintronic applications.
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ژورنال
عنوان ژورنال: Gazi university journal of science part a:engineering and innovation
سال: 2022
ISSN: ['2147-9542']
DOI: https://doi.org/10.54287/gujsa.1185023