Examination of the Jahn-Teller physics of NaNi02 and LiNi02 using x-ray absorption spectroscopy and configuration interaction

Abstract

<p> This thesis examines available x-ray absorption spectroscopy (XAS) data for NiO, NaNi02 , and LiNi02 . The XAS examined is the Ni L-edge, 3d^n2p^6 →t 3d^(n+1)2p^5 . The experimental spectra are compared to spectra calculated using a configuration interaction approach. This approach reproduces the spectra accurately. The NaNi02 spectrum is shown to be sensitive to the Jahn-Teller distortion, while the LiNi02 spectrum is reproduced by a hybridized d^7-d^8 state that explains the lack of Jahn-Teller distortion in LiNi02 </p>