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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

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    BO - Biophysics

  • OECD FORD branch

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

  • 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