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
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
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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
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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
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UT code for WoS article
000442195500001
EID of the result in the Scopus database
2-s2.0-85052945113