Volume 1 Number 1 (Jul. 2011)
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IJAPM 2011 Vol.1(1): 19-23 ISSN:2010-362X
DOI: 10.7763/IJAPM.2011.V1.4

Electronic Properties of h-WO3 and CuWO4 Nanocrystalsas Determined from X-ray Spectroscopy and First-Principles Band-Structure Calculations

V. V. Atuchin, I. B. Troitskaia, O. Yu. Khyzhun, V. L. Bekenev, and Yu. M. Solonin

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.

General Information

ISSN: 2010-362X (Online)
Abbreviated Title: Int. J. Appl. Phys. Math.
Frequency: Quarterly
DOI: 10.17706/IJAPM
Editor-in-Chief: Prof. Haydar Akca 
Abstracting/ Indexing: INSPEC(IET), CNKI, Google Scholar, EBSCO, Chemical Abstracts Services (CAS), etc.
E-mail: ijapm@iap.org
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