First principle insight on Mn doped BeTe compound for optoelectronic and spintronic applications

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 Be1-xMnxTe (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 (Eg). 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 Be1-xMnxTe (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

Investigation of manganese doped BaSe for energy harvesting and spintronics devices

“…Calculated ZT values (at 300 K) are 0.76, 0.81, 0.64 and 0.12 for pure BaSe and Ba 1−x Mn x Se (x = 6.25%, 12.5% and 25%), respectively (See table 3). Its value abruptly declines owing to low S value for 25% Mn doped BaSe (see figure 9) [64]. The above-mentioned TE results suggest that investigated compounds are suitable for TE cooling applications over a wide range of temperatures.…”

“…A key TE parameter called S measures the electric potential created across a material's edges in response to a temperature differential (S = ΔV/ΔT) [64]. For temperature sensing applications, materials with high S are important for TE devices that can transform waste heat into usable electrical energy.…”

Exploring the Mn doped BaTe alloy for spintronics and energy harvesting applications

“…Several researchers have investigated the static dielectric functions of similar alloys. Values of ε 1 (0) are approximately 7.91, 8.23, 8.56, 8.78, 9.12 for pure BeTe and Be 1−x Mn x Te (X = 0.0625, 0.125 and 0.25), correspondingly [20]. Co-doped CdTe has ε 1 (0) values of about 59.97 [62].…”

“…At macroscopic and nanoscale, the material's characteristics provide insights to inventive device functionalities. The vast characteristics and captivating innovations of DMSs materials are raised owing to the robust spin-polarization [20].…”

“…Additionally, Monir et al reported the physical characteristics of V-doped BeTe and observed that the lattice constant increase with the rise in concentration and V-atom particularly participate to total μ B [38]. Recently, various computational work has been done to examine the magnetic and half metallic FM features of SCs such as Mn/V-doped BaS [39,40], Mn-doped BeTe [20], V/Cr-doped BeTe [41], Ni-doped CdSe [42] and Cr-doped BaTe [43].…”