Phase Diagram of Na${}_x$CoO${}_2$ Studied by Gutzwiller Density Functional Theory

Guangtao Wang, Xi Dai, Zhong Fang

The ground states of Na${}_x$CoO${}_2$ ($0.0<x<1.0$) is studied by the LDA+Gutzwiller approach, where charge transfer and orbital fluctuations are all self-consistently treated {\it ab…