Characterization of Fe 3d states in CuFeS2by resonant X-ray emission spectroscopy

✍ Scribed by Sato, Katsuaki ;Harada, Yoshihisa ;Taguchi, Munetaka ;Shin, Shik ;Fujimori, Atsushi

• Publisher: John Wiley and Sons
• Year: 2009
• Tongue: English
• Weight: 388 KB
• Volume: 206
• Category: Article
• ISSN: 0031-8965
• DOI: 10.1002/pssa.200881196

✦ Synopsis

Abstract

Resonant X‐ray emission spectroscopy (RXES) experiments were carried out in a single crystal of chalcopyrite CuFeS~2~, an antiferromagnetic semiconductor with a golden lustre, to unravel the overlapping d–d and charge‐transfer transitions extending well above the absorption edge, which cannot be observed by conventional optical absorption experiments. The observed RXES spectra have been analyzed by means of cluster‐model calculation with configuration interaction, which leads to the conclusion that CuFeS~2~ is a Haldane–Anderson insulator with a negative value of charge transfer energy, Δ = –3 eV. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)