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Room temperature Co K- and La L-edges X-ray absorption studies have beencarried out on LaCoO$_3$. Experimental near edge structures have been analysedby theoretical LDA+U density of states (DOS) and multiple scattering (MS)calculations. Use of both MS and DOS calculations yield additional informationabout hybridization of the states of central atom with neighbouring atomsresponsible for producing the near edge structures. Absorption processes at CoK-, La L1-, L2-, and L3-edges have been attributed to electronic transitionsfrom Co 1s to Co 4p, La 2s to La 6p, La 2p$_{1/2}$ to La 5d, and La 2p$_{3/2}$to La 5d, respectively. All the pre-edge and post-edge features including theshape of the main absorption edge have been generated by taking the convolutionof the calculated DOS, indicating that single particle approximation issufficient to express all experimentally observed major structures. Twopre-edge structures observed in Co K-edge spectrum are attributed to Co 1s toe$_g^{\uparrow}$ and e$_g^$\downarrow}$ quadrupole transitions in contrast toearlier identification of the same to Co 1s to t$_{2g}$ and e$_g$ transitions.The influence of La 6p states on the Co 4p states is such that the inclusion ofLa atoms in the MS calculations is necessary to generate post-edge structuresin Co K-edge spectrum. The importance of the hybridization of O 2p state withLa 6p and 5d in the L-edge absorption processes has also been discussed. 10%contribution of quadrupole channel has been estimated in La L-edges.Comment: 13 Pages; 6 figures; Accepted in J. Phys.: Condens. Matte

Electronic states of LaCoO3: Co K-edge and La L-edge x-ray absorption studies

Electronic states of LaCoO₃: Co K-edge and La L-edge x-ray absorption studies