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Z-scan analysis and ab initio studies of β-BaTeMo2O9 single crystal
Institution:1. Institute of Physics, J. Dlugosz University, Al. Armii Krajowej 13/15, Czestochowa, Poland;2. Institute of Physics, University of Tartu, Riia 142, Tartu 51014, Estonia;3. Institute of Applied Physics, Military University of Technology, Kaliskiego 2, 00-908 Warsaw, Poland;4. Institute of Materials Science Engineering, Armii Krajowej 17, Czestochowa University of Technology, Czestochowa, Poland;1. Centro de Investigación y de Estudios Avanzados del I. P. N., Libramiento Norponiente No. 2000, Fracc. Real de Juriquilla, C. P. 76230, Querétaro, Qro, Mexico;2. Texas A&M University, Department of Materials Science & Engineering, College Station, Tx, 77840, USA;1. Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wroc?aw 2, Poland;2. Institute of Applied Physics, Military University of Technology, 2 Kaliskiego Str., 00-908 Warsaw, Poland;3. Faculty of Physics, Warsaw University of Technology, 75 Koszykowa Str., 00-662 Warsaw, Poland;1. College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Longteng Road 333, 201620 Shanghai, PR China;2. State key Laboratory of Crystal Materials, Shandong University, Jinan 250100, PR China;3. Department of Chemistry and Food Chemistry, Technische Universität Dresden, 01062 Dresden, Germany;1. PG and Research Department of Physics, Periyar E.V.R College (Autonomous), Tiruchirappalli, 620023, India;2. PG and Research Department of Physics, Loyola College (Autonomous), Chennai, 600034, India
Abstract:The Z-scan measurements for the non-centrosymmetric optical crystals β-BaTeMo2O9 (BTMO) were performed. The corresponding experiments were carried out using the 5 ns pulses of the second harmonic of a nanosecond Nd:YAG laser at the 532 nm wavelength. It was shown that the studied crystals possess promising third-order optical susceptibilities, which allow to use the crystal as optical limiters. The comparison with other oxide materials is presented. To clarify the origin of the observed effect, the electronic and optical properties of BTMO were calculated using the density functional theory (DFT)-based method. The performed calculations of the electronic and optical properties revealed certain peculiar features that can be suitable for the nonlinear optical applications. The relation between the observed nonlinear optical features and the calculated band structure is emphasized. The values of the calculated band gap and refractive index for β-BaTeMo2O9 are also reported.
Keywords:Nonlinear optical crystals  Nonlinear optics  Band structure  Two-photon absorption  Ab initio calculations
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