Investigation of inherent properties of XScZ (X = Li, Na, K; Z = C, Si, Ge) half-Heusler compounds: Appropriate for photovoltaic and thermoelectric applications

Heusler‐Based Cylindrical Micro‐ and Nanowires

“…[15][16][17][18] Thanks to their extensive tunability [19][20][21][22] based on their chemical composition, crystal, or electronic structure, [23][24][25][26][27][28][29] they attract interest in the fundamental and application approach. [30][31][32][33][34] Particularly, spin polarization, [33,35] superconductivity, [36][37][38][39] shape memory, [40][41][42][43][44][45] or magnetocaloric behavior [28,40,[46][47][48][49][50] have triggered significant interest in the experimental and theoretical perspective.Based on the chemical composition and the resulting properties, Heusler alloys, also known as full-Heusler alloys with the stoichiometry X 2 YZ, can be divided into several groups according to their physical properties. [51] Co 2 YZ-based Heusler can be considered the leading group of materials showing high spin polarization (P) or even half metallicity (P ¼ 100%).…”

“…[15][16][17][18] Thanks to their extensive tunability [19][20][21][22] based on their chemical composition, crystal, or electronic structure, [23][24][25][26][27][28][29] they attract interest in the fundamental and application approach. [30][31][32][33][34] Particularly, spin polarization, [33,35] superconductivity, [36][37][38][39] shape memory, [40][41][42][43][44][45] or magnetocaloric behavior [28,40,[46][47][48][49][50] have triggered significant interest in the experimental and theoretical perspective.…”

Emerging potential photovoltaic absorber hybrid halide perovskites ( CH 3 CH 2 NH 3 PbX 3 ; X = Br, Cl) materials: an ab‐initio calculation

“…The value of ε ( ω ) measures the response of the material to the incident electromagnetic radiation. The standard relations have been employed to compute all optical parameters relevant to PV applications 42‐44 …”

“…The standard relations have been employed to compute all optical parameters relevant to PV applications. [42][43][44] The dependence of the ε 1 (ω) and ε 2 (ω) on the energy of the incident photon is displayed in Figure 5A,B, respectively. From the plot, the respective values of static dielectric constant, that is, ε 1 (0) of the materials EPBr and EPCl are found to be 4.50 and 3.80, respectively.…”

Electronic and thermo‐physical properties of double antiperovskites X6SOA2 (X = Na, K and A = Cl, Br, I): A non‐toxic and efficient energy storage materials

“…A wide range of materials like chalcogenides, oxide perovskites, hybrid perovskites, organic compounds, skutterudites, triple point metals, Half‐Heusler and antiperovskites [2–9] has been used as potential thermoelectric devices. Kamlesh et al [10] have investigated optoelectronic and thermoelectric parameters of XScZ (X = Li, Na and K; Z = C, Si and Ge) Half‐Heusler materials within DFT and concluded that these compounds may be efficiently employed in photovoltaic applications and manifest high figure of merit resulting it as a potentially thermoelectric candidate. Yaseen et al [11] have investigated optical and thermoelectric parameters of perovskite oxide PbTiO 3 under pressure by using Density Functional Theory (DFT) and concluded that PbTiO 3 is an indirect bandgap semiconductor up to 40 GPa and converts into direct at 80 GPa.…”