Dispersion of linear and non-linear optical susceptibilities for amino acid 2-aminopropanoic CH3CH(NH2)COOH single crystals: experimental and theoretical investigations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F11%3A43888491" target="_blank" >RIV/60076658:12520/11:43888491 - isvavai.cz</a>

Výsledek na webu

<a href="http://pubs.rsc.org/en/Content/ArticleLanding/2011/JM/c1jm12361k#!divAbstract" target="_blank" >http://pubs.rsc.org/en/Content/ArticleLanding/2011/JM/c1jm12361k#!divAbstract</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c1jm12361k" target="_blank" >10.1039/c1jm12361k</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Dispersion of linear and non-linear optical susceptibilities for amino acid 2-aminopropanoic CH3CH(NH2)COOH single crystals: experimental and theoretical investigations

Popis výsledku v původním jazyce

A comprehensive experimental and theoretical investigation of dispersion of the linear and nonlinear optical susceptibilities for amino acid L-alanine single crystals is reported. The state-of-the-art full potential linear augmented plane wave method, within a framework of the density functional theory was applied. The atomic positions from X-ray diffraction have been optimized so that the force on each atom is around 1 mRy au(-1). This relaxed geometry has been used for the theoretical calculations. The complex dielectric susceptibility dispersion, its zero-frequency limit and the birefringence of amino acid L-alanine single crystals were studied. The crystal exhibits a large uniaxial dielectric anisotropy resulting in a significant birefringence. Thecalculated birefringence at static limit is 0.072 and 0.074 at lambda = 1064 nm (corresponding to 1.165 eV) in good agreement with the measured value (0.073). We also report calculations of the complex second-order optical susceptibility

Název v anglickém jazyce

Dispersion of linear and non-linear optical susceptibilities for amino acid 2-aminopropanoic CH3CH(NH2)COOH single crystals: experimental and theoretical investigations

Popis výsledku anglicky

A comprehensive experimental and theoretical investigation of dispersion of the linear and nonlinear optical susceptibilities for amino acid L-alanine single crystals is reported. The state-of-the-art full potential linear augmented plane wave method, within a framework of the density functional theory was applied. The atomic positions from X-ray diffraction have been optimized so that the force on each atom is around 1 mRy au(-1). This relaxed geometry has been used for the theoretical calculations. The complex dielectric susceptibility dispersion, its zero-frequency limit and the birefringence of amino acid L-alanine single crystals were studied. The crystal exhibits a large uniaxial dielectric anisotropy resulting in a significant birefringence. Thecalculated birefringence at static limit is 0.072 and 0.074 at lambda = 1064 nm (corresponding to 1.165 eV) in good agreement with the measured value (0.073). We also report calculations of the complex second-order optical susceptibility

Druh

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

CEP obor

JA - Elektronika a optoelektronika, elektrotechnika

OECD FORD obor

—

Projekt

<a href="/cs/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: Jihočeské výzkumné centrum akvakultury a biodiverzity hydrocenóz</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

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

Název periodika

JOURNAL OF MATERIALS CHEMISTRY

ISSN

0959-9428

e-ISSN

—

Svazek periodika

21

Číslo periodika v rámci svazku

43

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

17219-17228

Kód UT WoS článku

000296207300028

EID výsledku v databázi Scopus

—