Specifické vlastnosti v pásové struktuře a lineární a nelineární optické vnímavosti krystalů La2CaB10O19

Kód výsledku v 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>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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).

Název v anglickém jazyce

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

Popis výsledku anglicky

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).

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2007

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Review B

ISSN

1098-0121

e-ISSN

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Svazek periodika

75

Číslo periodika v rámci svazku

24

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

245120

Kód UT WoS článku

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EID výsledku v databázi Scopus

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