Assessing the magnetic states and the accuracy of first-principles Hubbard corrections for the battery cathode Li${}_x$CoO${}_2$ ($x=0,1$)

Valentina Sanella, Cristiano Malica, Alberto Carta +4

Li${}_x$CoO${}_2$ is a prototypical layered cathode material for Li-ion batteries, yet its accurate description from first principles remains challenging because of self-interaction er…