Linear and nonlinear optical susceptibilities and hyperpolarizability of borate LiNaB4O7 single crystals: Theory and experiment

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F12%3A43883584" target="_blank" >RIV/60076658:12520/12:43883584 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1063/1.4749409" target="_blank" >http://dx.doi.org/10.1063/1.4749409</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.4749409" target="_blank" >10.1063/1.4749409</a>

Result language

angličtina

Original language name

Linear and nonlinear optical susceptibilities and hyperpolarizability of borate LiNaB4O7 single crystals: Theory and experiment

Original language description

LiNaB4O7 was synthesized by employing high-temperature reaction methods. The purity of the sample was checked by x-ray powder diffraction. The optical properties were measured by analyzing the diffuse reflectance data which showed a band gap of about 3.88 eV. Linear and nonlinear optical susceptibility calculations have been performed using the all-electron full potential linearized augmented plane wave method using four different exchange correlation potentials. It was found that the title compound possesses an optical gap of about 2.80 eV using the local density approximation, 2.91 eV by generalized gradient approximation, 3.21 eV for the Engel-Vosko generalized gradient approximation (EVGGA), and 3.81 eV using modified Becke-Johnson potential (mBJ).This compares well with our experimentally measured energy band gap of 3.88 eV. Our calculations show that EVGGA and mBJ cause a blue spectral shift with significant changes in the whole spectra. The observed spectral shifts are in agree

Czech name

—

Czech description

—

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BO - Biophysics

OECD FORD branch

—

Project

<a href="/en/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2012

Confidentiality

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

Name of the periodical

JOURNAL OF APPLIED PHYSICS

ISSN

0021-8979

e-ISSN

—

Volume of the periodical

112

Issue of the periodical within the volume

5

Country of publishing house

US - UNITED STATES

Number of pages

11

Pages from-to

—

UT code for WoS article

000309072200057

EID of the result in the Scopus database

—