Browsing Faculty of Engineering by Subject "GGA + U"

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Ab initio studies of the structural, electronic and magnetic properties of stannite CuFe 2 -III-VI 4 (III = Al, Ga, In and VI = S, Se, Te) alloys

Medina, S.; Obodo, K.O.; Zaoui, Y.; Bendaoud, H.; Beldi, L. (Elsevier, 2020)

The structural, magnetic and electronic properties of stannite CuFe2-III-VI4 (where III = Al, Ga, In and VI = S, Se, Te) quaternary alloys were investigated using the full-potential augmented plane wave and local states ...
First-principle studies of ferrimagnetic double perovskite Ca2FeMoO6 compound

Sebaa, O.; Obodo, K.O.; Zaoui, Y.; Beldi, L.; Bouhafs, B. (Springer, 2019)

Using first-principle calculations, the structural, electronic, and magnetic properties of the Ca2FeMoO6 double perovskite compound is investigated. Different spin-ordering: ferrimagnetic (FiM), ferromagnetic (FM), and ...