Electronic states of lithium amide

Kamakura, Nozomu; Takeda, Yukiharu   ; Saito, Yuji  ; Yamagami, Hiroshi; Tsubota, Masami*; Paik, B.*; Ichikawa, Takayuki*; Kojima, Yoshitsugu*; Muro, Takayuki*; Kinoshita, Toyohiko*

Lithium amide (LiNH) is lightweight complex hydride expected as a high-capacity hydrogen storage material. The electronic structure of lithium amide (LiNH) is investigated by soft X-ray emission spectroscopy (XES) and absorption spectroscopy (XAS). The unoccupied and occupied parts of the N 2 partial density of states are studied by N 1 XAS in the fluorescence yield mode and XES using soft X-ray (h=425eV) of SPring-8. The XES and XAS spectra show a band gap between the valence and conduction bands. The valence band in the XES spectrum consists of three peaks, which extend up to -8eV from the valence band top. The overall feature of the electronic structure of lithium amide by the XES and XAS is consistent with the band calculation. The strongly hybridized state with H 1 observed on the high binding energy side in the XES is discussed.