Confinement of electron holes via the peroxo group formation in the negative charge-transfer materials on the example of SrFeO3: plane-wave density functional theory predictions

Nikita A. Afimchenko, Aleksandr A. Shubin, Igor L. Zilberberg +1

The present work puts forward a concept that the thermostable O1s XPS peaks with energy of about 531 eV in negative charge-transfer SrFeO_{3-δ} perovskite are determined by the per…