Linear and nonlinear optical susceptibilities for a novel borate oxide BaBiBO{sub 4}: Theory and experiment

Journal Article · Tue Apr 15 04:00:00 EDT 2008 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2008.01.018· OSTI ID:21128248

Reshak, Ali Hussain ^[1]; Auluck, S ^[2]; Kityk, I V ^[3]

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1. Institute of Physical Biology, South Bohemia University, Zamek 136, Nove Hrady 37333 (Czech Republic)
2. Physics Department, Indian Institute of Technology, Kanpur, UP 208016 (India)
3. Institute of Physics, J. Dlugosz University of Czestochowa, Al. Armii Krajowej 13/15, Czestochowa (Poland)

The linear and nonlinear optical susceptibilities for different tensor components of BaBiBO{sub 4} single crystals have been calculated using the full-potential linear augmented plane wave method. The results of these calculations are verified by our measurements of linear and nonlinear optical properties using Nd-YAG laser at fundamental wavelength 1064 nm. The calculated energy gap is in a good agreement with experimental energy gap data obtained by optical absorption. We present results for the imaginary and real parts of the frequency-dependent dielectric constant. The calculated birefringence of BaBiBO{sub 4} is positive in agreement with the experimental data. Calculations are reported for the frequency-dependent complex part of second-order nonlinear optical susceptibilities {chi}{sub ijk}{sup (2)}({omega}). The linear and nonlinear optical susceptibilities are scissors corrected to match the value of the energy gap from the local density approximation calculations with the experimental value. The second harmonic generation efficiency of this compound is about five times larger than KDP (KH{sub 2}PO{sub 4}). It is crucial that we have obtained a large anisotropy of the second-order susceptibilities for three main second-order tensor components {chi}{sub zzz}{sup (2)}({omega}),{chi}{sub xxz}{sup (2)}({omega}),and{chi}{sub yyz}{sup (2)}({omega}) both experimentally and theoretically. The possible origin of the obtained anisotropy is discussed within a framework of the energy band calculations. - Graphical abstract: Principal crystalline structure.

• OSTI ID: 21128248
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 4 Vol. 181; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ABSORPTION
ANISOTROPY
BARIUM COMPOUNDS
BIREFRINGENCE
BISMUTH COMPOUNDS
BORATES
ELECTRONIC STRUCTURE
ENERGY GAP
FREQUENCY DEPENDENCE
HARMONIC GENERATION
MONOCRYSTALS
NEODYMIUM LASERS
OPTICAL PROPERTIES
OXIDES
PERMITTIVITY
POTASSIUM PHOSPHATES
TENSORS
WAVE PROPAGATION