Theoretical investigation of X2NaIO6 (X= Pb,Sr) double perovskites for thermoelectric and optoelectronic applications

Theoretical investigation of physical properties of Sr 2 XNbO 6 (X = La, Lu) double perovskite oxides for optoelectronic and thermoelectric applications

“…Gassoumi and H‐E Saad examined the optoelectronic features of Sr 2 MgMoO 6 and discovered a direct E g of 2.663 eV at Γ ‐ Γ symmetry points 11 . Asima et al explored the electronic, optical, and thermoelectric features of X 2 NaIO 6 (X = Pb, Sr) utilizing the FP‐LAPW method and discovered that the electronic bandgap ( E g ) of both compounds is 3.75 and 5.48 eV for Pb 2 NaIO 6 and Sr 2 NaIO 6 , respectively 12 …”

“…11 Asima et al explored the electronic, optical, and thermoelectric features of X 2 NaIO 6 (X = Pb, Sr) utilizing the FP-LAPW method and discovered that the electronic bandgap (E g ) of both compounds is 3.75 and 5.48 eV for Pb 2 NaIO 6 and Sr 2 NaIO 6 , respectively. 12 Shakeel Ahmad Khandy et al predicted magnetic and TE characteristics of Sr 2 HoNbO 6 and observed total magnetic moment μ = 4.0 μB and ZT ffi 0.97 at room temperature. 13 Sajad Ahmad et al calculated magnetic, elastic, and electronic as well as TE characteristics of Sr 2 MnTaO 6 and the calculated magnetic moment was 4 μB.…”

“…20 The above literature survey reveals that the investigations of strontium-based DPOs have got considerable researchers interest owing to their extraordinary properties. [9][10][11][12][13][14] In the present study elastic, optical, TE, and electronic characteristics of strontium-based double perovskite oxides Sr 2 XNbO 6 (X = La, Lu) are calculated within the FP-LAPW method based on WIEN2K software. The findings show that Sr 2 LaNbO 6 and Sr 2 LuNbO 6 are both brittle and ductile, and that both compounds are appropriate for optoelectronics and thermoelectric functions.…”

Physical Properties of Sr2MWO6 (M=Ca, Mg) for Renewable Energy Applications

“…[ 9 ] Asima et al identified Pb 2 NaIO 6 and Sr 2 NaIO 6 double perovskites have ZT of 0.751 and 0.767, correspondingly. [ 10 ] Zhao et al used DFT to examine the optical and electronic features of Sr 2 MMoO 6 (M = Mg, Ca, or Zn) double perovskites and discovered that Sr 2 ZnMoO 6 has an indirect E g , whereas Sr 2 MgMoO 6 and Sr 2 CaMoO 6 have direct E g . It was also observed that modifying the electronic structure of double perovskites to absorb the visible light by swapping the B‐site element is a feasible strategy for developing inorganic perovskite solar panels.…”

Investigation of X2GaAgCl6 (X = K, Cs) for Optoelectronic Devices: A Density Functional Theory Study

“…[ 6 ] Due to relatively stable photovoltaic (PV) nature, [ 7,8 ] organic–inorganic perovskites have proven outstanding performance in optoelectronic devices. [ 9 ] Shortly after a fundamental burst of development in perovskite photovoltaic devices, accomplishments in the domain of perovskite materials were revealed in the scope of thin‐film appliances, like light‐emitting diodes (LEDs), [ 10,11 ] thin‐film transistors, [ 12 ] and lasers.…”