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Thermodynamic aspects of transition metals doped ZnO

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F11%3A43889913" target="_blank" >RIV/60461373:22310/11:43889913 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1557/opl.2011.577" target="_blank" >http://dx.doi.org/10.1557/opl.2011.577</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1557/opl.2011.577" target="_blank" >10.1557/opl.2011.577</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Thermodynamic aspects of transition metals doped ZnO

  • Original language description

    A thermodynamic study of selected transition metals (TM=Cr, Mn, Fe and Co) solubility in ZnO based on the assessment of available thermodynamic data and ab-initio calculations in the respective TM-Zn-O systems is presented. The ab-initio DFT calculationsof enthalpies of formation of the involved phases and the energies of substitution defect (TM-Zn) formation were performed using WIEN2k code. The assessed thermodynamic data are subsequently used for calculation of phase equilibria and construction of the respective pO2-T-x phase diagram (FactSage software). Whereas the solubility of Mn, Fe, and Co in ZnO is found not to exceed 1 mol% at low temperatures, the homogeneity range is substantially enlarged at elevated temperatures. By contrast, the solubility of Cr turned out to be negligible in the relevant range of T and pO2.

  • Czech name

  • Czech description

Classification

  • Type

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

  • CEP classification

    CA - Inorganic chemistry

  • OECD FORD branch

Result continuities

  • Project

    <a href="/en/project/GA104%2F09%2F0621" target="_blank" >GA104/09/0621: ZnO-based magnetic semiconductors</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Others

  • Publication year

    2011

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    MRS Proceedings 2011

  • ISSN

    1946-4274

  • e-ISSN

  • Volume of the periodical

    1309

  • Issue of the periodical within the volume

    2011

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    6

  • Pages from-to

    1-6

  • UT code for WoS article

  • EID of the result in the Scopus database