Abstract—Structural properties of anhydrous Nb⁵⁺-niobates and Ta⁵⁺-tantalates have been evaluated with the help of classic polyhedra approach and atomic net model. X-ray photoelectron spectroscopy (XPS) is utilized as a powerful method to determine the binding energy (BE) of individual atoms in the crystal lattice. Chemical bonding effects are discussed for niobates and tantalates using the binding energy differences ΔNb = (BE O 1s – BE Nb 3d_5/2) and ΔTa = (BE O 1s – BE Ta 4f_7/2) as key parameters to relate structural and electronic properties of the compounds with pronounced dielectric nature. Photocatalytic materials such as Sr₂Nb₂O₇, Ta₂O₅, LiTaO₃, and Sr₂Ta₂O₇ are considered in particular.

Index Terms—niobate; tantalate; atomic net; XPS; chemical bonding.

V. V. Atuchin is with the Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russia (e-mail: atuchin@thermo.isp.nsc.ru).
S. V. Borisov is with the Laboratory of Crystal Chemistry, Institute of Inorganic Chemistry, SB RAS, Novosibirsk, 630090, Russia (e-mail: borisov@niic.nsc.ru).
N. V. Pervukhina is with the Laboratory of Crystal Chemistry, Institute of Inorganic Chemistry, SB RAS, Novosibirsk, 630090, Russia (e-mail: pervukh@niic.nsc.ru).
Zhaoming Zhang is with the Australian Nuclear Science and Technology Organisation, Locked Bag 2001, Kirrawee DC, NSW 2232, Australia (e-mail: zzx@ansto.gov.au).

Cite:V. V. Atuchin, S. V. Borisov, N. V. Pervukhina, and Zhaoming Zhang, "Structural and Electronic Parameters of Complex Niobates and Tantalates," International Journal of Applied Physics and Mathematics vol. 1, no. 1, pp. 38-42, 2011.