Dispersion of the linear and nonlinear optical susceptibilities of disilver germanium sulfide from DFT calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F13%3A43885160" target="_blank" >RIV/60076658:12520/13:43885160 - isvavai.cz</a>
Result on the web
<a href="http://link.springer.com/article/10.1007%2Fs10853-012-6961-6" target="_blank" >http://link.springer.com/article/10.1007%2Fs10853-012-6961-6</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10853-012-6961-6" target="_blank" >10.1007/s10853-012-6961-6</a>
Alternative languages
Result language
angličtina
Original language name
Dispersion of the linear and nonlinear optical susceptibilities of disilver germanium sulfide from DFT calculations
Original language description
The dispersion of the linear and nonlinear optical susceptibilities is calculated for disilver germanium sulfide (Ag2GeS3) using the all-electron full potential linearized augmented plane wave (FP-LAPW) method. Calculations are performed with four exchange correlations namely local density approximation (LDA), general gradient approximation (GGA), Engel-Vosko generalized gradient approximation (EVGGA), and modified Becke-Johnson potential (mBJ). Our calculations give a band gap of 0.40 eV (LDA), 0.42 eV(GGA), 1.03 eV (EVGGA), and 1.30 eV (mBJ) in comparison with our measured gap (1.98 eV). The mBJ exchange correlation gives the best agreement with experiment. We find that the calculated linear optical susceptibilities of Ag2GeS3 show considerable anisotropy which is useful for second harmonic generation and optical parametric oscillation. To analyze the spectra of the calculated chi (113) ((2)) (omega), chi (232) ((2)) (omega), chi (311) ((2)) (omega), chi (322) ((2)) (omega), and chi
Czech name
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Czech description
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Classification
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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Result continuities
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)
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
JOURNAL OF MATERIALS SCIENCE
ISSN
0022-2461
e-ISSN
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Volume of the periodical
48
Issue of the periodical within the volume
5
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
1955-1965
UT code for WoS article
000312906400012
EID of the result in the Scopus database
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