Abstrato
Electronic and Magnetic Properties of the Battery
Tim Jason*
LiMn2O4 is a battery cathode material with profitable rates similar as low cost, low toxin, high Mn natural cornucopia, and environmental benevolence. We probe the structural, glamorous, and electronic parcels of LiMn2O4 under ambient and high hydrostatic pressures using first-principles computations. Using a boxy structure, we get two oxidation countries for indeed that differ in all analysed parcels structural, electronic, and glamorous. Similar features were discovered to have a regular geste when P>0, dropping easily and linearly with pressure. likewise, the enthalpy of boxy and orthorhombic structures was estimated under low and high pressure settings, revealing that no boxy to orthorhombic phase transition exists in all pressure ranges delved , nor is a glamorous boxy to anon-magnetic boxy phase transition possible.
