A. T. Kozakov, K. A. Guglev, V. V. Ilyasov, I. V. Ershov, A. V. Nikol'skii, V. G. Smotrakov, V. V. Eremkin, “Electronic structure of bismuth ferrite and hematite single crystals: X-ray photoelectron study and calculation”, Fizika Tverdogo Tela, 2011, Volume 53, Issue 1,Pages <nobr>41

This article is cited in 15 papers

Dielectrics

Electronic structure of bismuth ferrite and hematite single crystals: X-ray photoelectron study and calculation

A. T. Kozakov^a, K. A. Guglev^a, V. V. Ilyasov^b, I. V. Ershov^b, A. V. Nikol'skii^a, V. G. Smotrakov^a, V. V. Eremkin^a

^a Research Institute of Physics, Southern Federal University
^b Don State Technical University, Rostov-on-Don

Abstract: The X-ray photoelectron spectra of the inner levels and valence bands of the surfaces of BiFeO$_3$ and Fe$_2$O$_3$ single crystals have been measured using X-ray photoelectron spectroscopy on an ESCALAB 250 X-ray photoelectron microprobe with monochromatization of X-ray radiation of the Al$K_\alpha$ line. The ab initio calculations have been performed by the full-potential pseudopotential method in terms of the density functional theory (Quantum-Espresso program package). The band structure and the total and partial densities of states have been calculated for the BiFeO$_3$ and Fe$_2$O$_3$ systems. A comparison of the theoretical and experimental results has demonstrated good agreement between theory and experiment.

Received: 13.04.2010