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ČeštinaEnglish

ELECTRONIC STRUCTURE AND TRANSPORT PROPERTIES OF Ba4LaGe3SbSe13 SEMICONDUCTOR

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43921977" target="_blank" >RIV/49777513:23640/14:43921977 - isvavai.cz</a>

  • Result on the web

    —

  • DOI - Digital Object Identifier

    —

Alternative languages

  • Result language

    angličtina

  • Original language name

    ELECTRONIC STRUCTURE AND TRANSPORT PROPERTIES OF Ba4LaGe3SbSe13 SEMICONDUCTOR

  • Original language description

    Full potential linear augmented plane wave based on density functional theory were applied for calculating the density of states, valence electron charge density and transport properties of Ba4LaGe3SbSe13. The exchange correlation potential was solved byEngel Vosko generalized gradient approximation. The calculated total density of states clarified that Ba4LaGe3SbSe13 acquire small band gap (1.60 eV). The calculated partial density of states show the role of orbital's that forming the electronic bands.The evaluation of electronic charge density plot established the mixed ionic-covalent nature of the bonds. Both Se?Sb and Se?Ge are strong covalent bonds having 8.8 % and 10 % ionicity while the ionic behavior of Se?La and Se?Ba increase to 31.8 % and 37.3%. In additional the transport properties were calculated using the Boltzmann transport theory. The average tensor components of electrical conductivity, Seebeck coefficient, thermal conductivity and power factor were calculated discus

  • Czech name

    —

  • Czech description

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Classification

  • Type

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

  • CEP classification

    BE - Theoretical physics

  • OECD FORD branch

    —

Result continuities

  • Project

    <a href="/en/project/ED2.1.00%2F03.0088" target="_blank" >ED2.1.00/03.0088: Centre of the New Technologies and Materials</a><br>

  • Continuities

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

Others

  • Publication year

    2014

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    International Journal of Innovative Research in Science, Engineering and Technology

  • ISSN

    2319-8753

  • e-ISSN

    —

  • Volume of the periodical

    3

  • Issue of the periodical within the volume

    2

  • Country of publishing house

    IN - INDIA

  • Number of pages

    9

  • Pages from-to

    9626-9634

  • UT code for WoS article

    —

  • EID of the result in the Scopus database

    —

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