Hole doping in a negative charge transfer insulator

Abstract

The metal-insulator transition is well-known phenomenon in condensed-matter physics but the mechanisms driving the insulating state can vary from system to system and so understanding the underlying physics is complex. Here, the authors investigate electronic structure of single crystalline, Ca-doped NdNiO3 using synchrotron measurements and DFT calculations, illuminating the importance of bond disproportionation in the observed properties.