Electronic excitations in NiO

✍ Scribed by Manabu Takahashi; Jun-Ichi Igarashi

• Publisher: John Wiley and Sons
• Year: 2010
• Tongue: English
• Weight: 654 KB
• Volume: 508
• Category: Article
• ISSN: 0003-3804
• DOI: 10.1002/andp.2065080304

✦ Synopsis

A many-body theory for a multi-orbital tight-binding model is developed by taking account of local three-body correlations. The theory is applied to the antiferromagnetic NiO. The multiplet structures of hree-particle states are fully taken into account. It is shown that the self-energy correction leads to the correct value of the band gap, the orbital character of the valence band top which is consistent with the charge-transfer insulator, and the presence of the satellite intensities. The quasiparticle band is obtained in good agreement with the angular-resolved photoemission data of NiO.