First principle insight on Mn doped BeTe compound for optoelectronic and spintronic applications
Hina Ambreen, Shatha A. Aldaghfag, Muhammad Yaseen, Muhammad Zahid, H.H. Somaily
Abstract
Abstract The structural, electronic, optical, magnetic and thermoelectric (TE) features of pristine and Mn doped BeTe compound were computed by mean of FP-LAW method. Magnetic stability at various doping concentrations in ferromagnetic (FM) ordering is investigated by minimizing the total ground state energies. A semiconductor behavior is predicated for BeTe and Be 1−x Mn x Te (X = 6.25, 12.5, 18.75, 25%) because of the fact that spin-up and spin-dn show semiconductor character with direct band gap (E g ). The total and partial density of states of resultant compound have also been calculated. Furthermore, the dilute magnetic semiconductors (DMS) have been considered as the potential candidate to be used in spintronics devices. The magnetic moment of Be 1−x Mn x Te (X = 6.25, 12.5, 18.75, 25%) has been studied by increasing the concentration of Mn atoms. The contribution of the Mn atoms is significant in the total magnetic moment of resultant alloys, while it is minor in Be and Te. Moreover, the optical features revealed the maximum absorption of light in visible to UV span of electromagnetic spectrum which makes it a potential candidate for optoelectronic applications. Outcome suggest that Mn doped BeTe is an interesting candidates for various technological applications.