Abstract—The electronic structure of hexagonal WO3 and triclinic CuWO4 nanocrystals, prospective materials for functional electronic devices, has been studied using the X-ray photoelectron spectroscopy (XPS) and X-ray emission spectroscopy (XES) methods. The present XPS and XES results render that the W 5d- and O 2p-like states contribute throughout the whole valence-band region of the h-WO3 and CuWO4 nanocrystalline materials, however maximum contributions of the O 2p-like states occur in the upper, whilst the W 5d-like states in the lower portions of the valence band, respectively. Calculations of band dispersions for several symmetry directions of CuWO4 have been made using the first-principles self-consistent full potential linearized augmented plane wave (FP-LAPW) method. The FP-LAPW calculations render that CuWO4 is an indirect-gap material.

Index Terms—tungstate; nanocrystal; oxide; electronic structure.

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).
I. B. Troitskaia is with the Laboratory of Optical Materials and Structures,Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russia(e-mail: troitskaia@thermo.is.nsc.ru).
 O. Yu. Khyzhun is with Frantsevich Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, Kiev, UA-03142,Ukraine (e-mail: khyzhun@ipms.kiev.ua).
V. L. Bekenev is with Frantsevich Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, Kiev, UA-03142,Ukraine (e-mail: bekenev@ipms.kiev.ua).
Yu. M. Solonin is with Frantsevich Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, Kiev, UA-03142,Ukraine (e-mail: solonin@ipms.kiev.ua).

Cite: V. V. Atuchin, I. B. Troitskaia, O. Yu. Khyzhun, V. L. Bekenev, and Yu. M. Solonin, "Electronic Properties of h-WO3 and CuWO4 Nanocrystalsas Determined from X-ray Spectroscopy and First-Principles Band-Structure Calculations," International Journal of Applied Physics and Mathematics vol. 1, no. 1, pp.19-23, 2011.