Stability, magnetic, electronic, elastic, thermodynamic, optical, and thermoelectric properties of Co2TiSn, Co2ZrSn and Co2HfSn Heusler alloys from calculations using generalized gradient approximation techniques

Comprehensive first principles to investigate optoelectronic and transport phenomenon of lead-free double perovskites Ba2AsBO6 (B Nb, Ta) compounds

“…It's important to note that every matter's dielectric function may be represented as [ 78 ]. Where, ε 1 ( ω ) and i ε 2 ( ω ) are the real and imaginary components of the dielectric function respectively [ 79 ]. To investigate the optical properties, we calculated the optical properties with ε 1 ( ω ), ε 2 ( ω ), n ( ω ), and k ( ω ) respectively as shown in Fig.…”

Emergence of Multiple Hysteresis Cycles and Polarization Plateaus: A Monte Carlo Investigation of Fullerene-Like System

“…30 Researchers have even delved into the stability, magnetic properties and thermoelectric characteristics of Co 2 TiSn, Co 2 ZrSn and Co 2 HfSn-Heusler alloys by using generalized gradient approximation techniques in their Monte Carlo studies. 31 Finally, Monte Carlo simulations were used in conjunction with firstprinciple calculations to investigate the magnetocaloric effect and the structural, magnetic and electronic properties of the highly entropic alloy AlCo x Cr 1−x FeNi. 32 These versatile simulations have also been applied to investigate the optical properties of Al 2 O 3 thin films doped with various nanoparticles, including hollow monometallic and core/ shell bimetallic gold and silver nanoparticles.…”