First principles calculation to investigate the effect of Mn substitution on Cu site in CeCu<sub>3−<i>x</i></sub>Mn<sub><i>x</i></sub>V<sub>4</sub>O<sub>12</sub> (<i>x</i> = 0, 1, 2 and 3) system
F. F. Alharbi, Shahid Mehmood, Zahid Ali, Salma Aman, Rabia Yasmin Khosa, V.G. Kostishyn, Sergei V. Trukhanov, M.I. Sayyed, Д.И. Тишкевич, А.В. Труханов
Abstract
is the most thermodynamically stable among these compounds. When Mn is replaced by Cu in these compounds, not only it become semi-metals, but the host compound also changes from non-magnetic to anti-ferromagnetic and their electrical resistance provides further credence to their electronic behavior. Mechanical stability, anisotropy, and ductility are all demonstrated through the elastic characteristics of these compounds. Due to anti-ferromagnetic ductile nature of the Mn base compounds, it is expected that the compounds in the system may use for spintronic application and in magnetic cloaking devices.