8 May 2013 Electronic structure of KTiOAsO4, a novel material for non-linear optical applications
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A high-quality KTiOAsO4 (KTA) single crystal has been successfully synthesized employing the high temperature solution growth technique with rotating and pooling. The XPS valence-band spectra have been measured for pristine and the 1.5 keV Ar+ ion-bombarded thin (001)KTA plate cut from the crystal part that was without any optical inhomogeneities or domain boundaries. The present XPS measurements have revealed the existence of two O 2s subbands on the XPS spectrum of the pristine (001)KTA surface. It has been established that 1.5 keV Ar+ ion bombardment of the (001)KTA surface causes the complete elimination of the O 2s sub-band related to oxygen atoms involved in the formation of Ti–O–As bonds in KTA. In addition, the XPS results reveal that such a treatment leads to a significant decrease of the relative intensity of the XPS As5+ 3d core-level spectrum and causes the formation of the additional As0 3d core-level spectrum in the topmost layer of the (001)KTA surface. The experimental data are compared to the results of the first-principles band-structure calculations of KTA.
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Victor Atuchin, Victor Atuchin, Oleg Y. Khyzhun, Oleg Y. Khyzhun, V.L. Bekenev, V.L. Bekenev, A.K. Sinelnichenko, A.K. Sinelnichenko, L. I. Isaenko, L. I. Isaenko, S. A. Zhurkov, S. A. Zhurkov, "Electronic structure of KTiOAsO4, a novel material for non-linear optical applications", Proc. SPIE 8772, Nonlinear Optics and Applications VII, 87721I (8 May 2013); doi: 10.1117/12.2017597; https://doi.org/10.1117/12.2017597

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