<i>Ab Initio</i>Evidence for Strong Correlation Associated with Mott Proximity in Iron-Based Superconductors
<i>Ab Initio</i>Evidence for Strong Correlation Associated with Mott Proximity in Iron-Based Superconductors
We predict that iron-based superconductors discovered near ${d}^{6}$ configuration (5 Fe $3d$ orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at ${d}^{5}$ (namely, half filling). This is based on the many-variable variational Monte Carlo …