Structural, thermodynamics, optical, electronic, magnetic and thermoelectric properties of Heusler Ni2MnGa: An ab initio calculations

Tailoring the intrinsic magneto-electronic, mechanical, thermo-physical and thermoelectric response of cobalt-based Heusler alloys: an ab initio insight

“…The significance of a material's electronic characteristics lies in their capacity to enable us to examine and comprehend the type of connections that have developed among the various elements within the material. 45 In electronic band structure, the presence of energy gaps in materials has amazing applications in spintronic, memory devices, thermoelectric etc. This feature of electronic structure can significantly be used to alter the physical properties required for present-day technological needs.…”

Advancements in P3HT:PCBM solar cells through experimental and simulated techniques

“…Simulation holds significant importance in the field of photovoltaics, serving dual purposes: firstly, for evaluating material properties [26][27][28][29][30][31][32], and secondly, for investigating the impact of various physical parameters such as temperature, pressure, and more on these properties [33,34]. In thinfilm technology, numerical tools are of paramount importance, providing invaluable insights into the performance of solar cells and aiding in the determination of optimal operating conditions customized for each specific cell (including parameters such as doping density and layer thickness).…”

Investigation of the Magnetic Features of the Fullerene-Dimer-Like Nanostructure (C 60)2: A Monte Carlo Study

“…[32][33][34][35] Additionally, studying the magnetic behaviors of graphene-like and hexagonal boron nitride lattices further expand our understanding of magnetic phenomena at the nanoscale. 36 Through methods like ab initio calculations, Monte Carlo simulations, and density functional theory, research has looked into exploring the magnetic properties and potential applications of various materials, including Ising nanowires, 37 double perovskites, 38,39 Heusler alloys, [40][41][42][43] and other structures, [44][45][46][47][48][49][50][51][52] covering a wide range of topics, such as dynamic phase transitions, electronic and magnetic properties, the magnetocaloric effect, structural changes in order to deepen our comprehension of these materials and provide new possibilities for their use in technology, such as in magnetic devices, spintronics, magnetic refrigerants, and even in energy storage as Li-ion battery materials.…”