We discuss the 2p and 3s line shape in NiO and MnO photoemission, and we show that the main features of all the spectra for both systems are reproduced within an unique theoretical scheme that takes into account the dynamics of the created photohole, together with the detailed band structure of the compounds. The solid state bonding and the antiferromagnetic order are found to deeply influence the characteristics of core level spectra; in particular, the large difference in the spin unbalance of MnO and NiO explains the different response of the two compounds to the creation of a core hole.
Theoretical simulation of core-level photoemission in transition-metal oxides / Rozzi, Ca; Manghi, Franca; CALANDRA BUONAURA, Carlo. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - STAMPA. - 72:(2005), pp. 125106-125110. [10.1103/PhysRevB.72.125106]
Theoretical simulation of core-level photoemission in transition-metal oxides
MANGHI, Franca;CALANDRA BUONAURA, Carlo
2005
Abstract
We discuss the 2p and 3s line shape in NiO and MnO photoemission, and we show that the main features of all the spectra for both systems are reproduced within an unique theoretical scheme that takes into account the dynamics of the created photohole, together with the detailed band structure of the compounds. The solid state bonding and the antiferromagnetic order are found to deeply influence the characteristics of core level spectra; in particular, the large difference in the spin unbalance of MnO and NiO explains the different response of the two compounds to the creation of a core hole.
Pubblicazioni consigliate
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris
