Structural, Mechanical, Electronic, and Magnetic Properties of LiO in Cesium Chloride, Rocksalt and Zinc-blende Structures
The structural, mechanical, electronic, lattice dynamic and magnetic properties of LiO in the Cesium Chloride (CsCl), Rocksalt (Rs) and Zinc-blende (ZB) structures is presented.The firstprinciples calculations was implemented using the spin-polarized (DFT) approach.It was observed that LiO compound exhibits ferromagnetic Ice Cream Dippers (FM) char