Specific features in the band structure and linear and nonlinear optical susceptibilities of La2CaB10O19 crystals

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F07%3A00008334" target="_blank" >RIV/60076658:12640/07:00008334 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Specific features in the band structure and linear and nonlinear optical susceptibilities of La2CaB10O19 crystals
Original language description
The electronic and optical properties have been calculated for monoclinic La2CaB10O19 (LCB) crystal using the state-of-the-art full potential linear augmented plane wave method. We present results for the band structure, density of states, birefringence,imaginary and real parts of the frequency dependent linear and nonlinear optical response. We have found that LCB is a semiconductor with an indirect energy band gap of about 4.45 eV. A simple scissor operator is applied to adjust the band energy gap from the calculations to match the experimental value (5.4 eV). The calculated birefringence of the LCB crystal has positive sign in agreement with the experimental data. Calculations are reported for the frequency-dependent complex second-order nonlinearoptical susceptibilities chi((2))(abc)(omega) up to 6 eV and for zero-frequency limit chi(2)(0). LCB exhibits second harmonic generation efficiency about two times larger than KDP crystal (KH2PO4).
Czech name
Specifické vlastnosti v pásové struktuře a lineární a nelineární optické vnímavosti krystalů La2CaB10O19
Czech description
U monoklinálních krystalů byly měřeny elektronické a optické vlastnosti. La2CaB10O19 (LCB).

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BO - Biophysics
OECD FORD branch
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Publication year
2007
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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