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Role of multiple charge states of Ce in the scintillation of ABO(3) perovskites

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F18%3A00501283" target="_blank" >RIV/68378271:_____/18:00501283 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1103/PhysRevApplied.10.024026" target="_blank" >http://dx.doi.org/10.1103/PhysRevApplied.10.024026</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1103/PhysRevApplied.10.024026" target="_blank" >10.1103/PhysRevApplied.10.024026</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Role of multiple charge states of Ce in the scintillation of ABO(3) perovskites

  • Original language description

    Ce-activated A2+B4+O3 perovskites represent a class of compounds currently under active exploration for their potential as scintillators. Depending on the chemistry and synthesis conditions, perovskites can crystallize in multiple crystal structures, and a Ce substitutional dopant in an ABO3 perovskite can adopt different charge states (i.e., Ce3+ or Ce4+) as well as different substitutional sites (namely, the 12-foldcoordinated. A site or the octahedrally coordinated B site). Here, we use first-principles density-functionaltheory-and hybrid-functional-based computations to study relative trends in the structure, energetics, and electronic structure of bulk ABO3 perovskites, where A = Ca, Sr, or Ba and B = Hf or Zr. Subsequently, we consider the relative energetics of preferential solution sites for Ce as a function of charge states, chemical potential, and defect configurations.n

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2018

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Physical Review Applied

  • ISSN

    2331-7019

  • e-ISSN

  • Volume of the periodical

    10

  • Issue of the periodical within the volume

    2

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    17

  • Pages from-to

  • UT code for WoS article

    000442195500001

  • EID of the result in the Scopus database

    2-s2.0-85052945113