Dynamic Phase Transitions, Electronic, and Magnetic Properties of Ba2NiWO6 and Sr2NiWO6 Double Perovskites

Semiconducting Characteristic of Antiferromagnetic Al4X3Mn (X = P, As and Sb) Compounds with Ab Initio Simulation Methods

“…For decades, material scientists have investigated many physical properties such as electronic behavior, magnetic nature, thermodynamic or thermoelastic properties, of solid crystalline materials theoretically, by using ab-initio simulation approaches grounded density functional theory (DFT). These type of Research Article computations are very useful to understand material and encourage related experimental and theoretical studies [17][18][19][20][21][22].…”

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.…”