Ab-initio method to investigate perovskites BiXO3(X = Be, Ca, Mg, Na, K, Li) for spintronics applications

Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl3 (X = Rb, Cs): a first-principles calculations

“…6 Half metallic (HM) compounds were found in 1980 and have been extensively researched for spin injection both theoretically and experimentally over the last decade. [7][8][9][10][11][12] This is a widespread phenomenon that has been observed in a variety of other materials, including Heusler alloys, transition metal oxides, and dilute magnetic semiconductors [13][14][15][16][17][18][19] The spin dependent unique property of HM allows for an opportunity to construct novel devices such as magnetic sensors and non-volatile magnetic random access memory that operate under the combined effect of spin-polarization and microelectronics. 20,21 Among the oxide perovskites, MgMnO 3 is a semiconductor at ambient temperature and has an insulating response at low temperatures.…”

Physical, optoelectronic and thermoelectric characteristics of double perovskite (Sr2ScBiO6) for green energy technology using ab initio computations

“…[1][2][3][4][5][6][7] More recently, greater attention has been focused on the development of DPs, particularly in the development of high-temperature thermoelectric devices. [8][9][10] This corresponds to the rising demand for thermoelectric materials to minimise the over-reliance on the rapidly-depleting fossil fuel sources. Realising the exceptional performance of perovskite materials in thermoelectric applications, they have attracted global attention over their ability to transform waste heat into sound energy, which positions them as one of the promising open sources of green energy technologies.…”

Study of mechanical, optical, and thermoelectric characteristics of Ba2XMoO6 (X = Zn, Cd) double perovskite for energy harvesting

“…Their band gaps in visible region and lead free nature boost their implementation for industrial applications which play a significant role in innovational privileges. The DPs are widely used in thermoelectricity, transparent conductors, solar energy conversion, pigments, and photocatalysts 1–6 . The increasing demand of energy globally and reduced sources forced researchers to seek for alternative energy resources.…”

“…The DPs are widely used in thermoelectricity, transparent conductors, solar energy conversion, pigments, and photocatalysts. [1][2][3][4][5][6] The increasing demand of energy globally and reduced sources forced researchers to seek for alternative energy resources. The advancement in quantum computing discover the new ways for the researchers to explore the materials for divers" applications.…”