Influence of an oxygen vacancy on the electronic structure of the asymmetric mixed borate- carbonate Pb7O(OH)3(CO3)3(BO3)
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F16%3A43928704" target="_blank" >RIV/49777513:23640/16:43928704 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/c5ra24601f" target="_blank" >http://dx.doi.org/10.1039/c5ra24601f</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c5ra24601f" target="_blank" >10.1039/c5ra24601f</a>
Alternative languages
Result language
angličtina
Original language name
Influence of an oxygen vacancy on the electronic structure of the asymmetric mixed borate- carbonate Pb7O(OH)3(CO3)3(BO3)
Original language description
The influence of an oxygen vacancy on the electronic properties of a mixed borate-carbonate compound Pb7O(OH)3(CO3)3(BO3) is studied. We report calculations of the electronic band structure, the angular momentum resolved projected density of states and the valence electronic charge density distribution.
Czech name
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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
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ROYAL SOC CHEMISTRY
ISSN
2046-2069
e-ISSN
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Volume of the periodical
6
Issue of the periodical within the volume
23
Country of publishing house
GB - UNITED KINGDOM
Number of pages
8
Pages from-to
18965-18972
UT code for WoS article
000370710500026
EID of the result in the Scopus database
2-s2.0-84958986765