Investigation of the Linear and Nonlinear Optical Susceptibilities of KTiOPO4 Single Crystals: Theory and Experiment

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F10%3A00012194" target="_blank" >RIV/60076658:12640/10:00012194 - isvavai.cz</a>

Výsledek na webu

—

DOI - Digital Object Identifier

—

Jazyk výsledku

angličtina

Název v původním jazyce

Investigation of the Linear and Nonlinear Optical Susceptibilities of KTiOPO4 Single Crystals: Theory and Experiment

Popis výsledku v původním jazyce

Experimental and theoretical studies of the linear and nonlinear optical susceptibilities for single crystals of potassium titanyl phosphate KTiOPO4 are reported. The state-of-the-art full potential linear augmented plane wave method, based on the density functional theory, was applied for the theoretical investigation. The calculated direct energy band gap at F, using the Engel-Vosko exchange correlation functional, is found to be 3.1 eV. This is in excellent agreement with the band gap obtained from the experimental optical absorption spectra (3.2 eV). We have calculated the complex dielectric susceptibility epsilon(omega)dispersion, its zero-frequency limit epsilon(1)(0) and the birefringence of KTiOPO4. The calculated birefringence at the zero-frequency limit Delta n(0) is equal to about 0.07 and Delta n(omega) at 1.165 eV (lambda = 1064 nm) is 0.074. We also report calculations of the complex second-order optical susceptibility dispersions for the principal tensor components: chi(

Název v anglickém jazyce

Investigation of the Linear and Nonlinear Optical Susceptibilities of KTiOPO4 Single Crystals: Theory and Experiment

Popis výsledku anglicky

Experimental and theoretical studies of the linear and nonlinear optical susceptibilities for single crystals of potassium titanyl phosphate KTiOPO4 are reported. The state-of-the-art full potential linear augmented plane wave method, based on the density functional theory, was applied for the theoretical investigation. The calculated direct energy band gap at F, using the Engel-Vosko exchange correlation functional, is found to be 3.1 eV. This is in excellent agreement with the band gap obtained from the experimental optical absorption spectra (3.2 eV). We have calculated the complex dielectric susceptibility epsilon(omega)dispersion, its zero-frequency limit epsilon(1)(0) and the birefringence of KTiOPO4. The calculated birefringence at the zero-frequency limit Delta n(0) is equal to about 0.07 and Delta n(omega) at 1.165 eV (lambda = 1064 nm) is 0.074. We also report calculations of the complex second-order optical susceptibility dispersions for the principal tensor components: chi(

Druh

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

CEP obor

BO - Biofyzika

OECD FORD obor

—

Projekt

—

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)<br>S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2010

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry B

ISSN

1520-6106

e-ISSN

—

Svazek periodika

114

Číslo periodika v rámci svazku

50

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

—

Kód UT WoS článku

000285236700004

EID výsledku v databázi Scopus

—