Raman spectra of fine-grained materials from first principles
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F20%3A00535217" target="_blank" >RIV/68378271:_____/20:00535217 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0313299" target="_blank" >http://hdl.handle.net/11104/0313299</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41524-020-00395-3" target="_blank" >10.1038/s41524-020-00395-3</a>
Alternative languages
Result language
angličtina
Original language name
Raman spectra of fine-grained materials from first principles
Original language description
In this paper, we introduce a method for computing Raman spectra of polycrystalline materials from first principles. We start from the standard approach based on the (Placzek) rotation invariants, of the Raman tensors and extend it to include the effect of the coupling between the lattice vibrations and the induced electric field, and the electro-optic contribution, relevant for polar materials like ferroelectrics.
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
<a href="/en/project/EF16_019%2F0000760" target="_blank" >EF16_019/0000760: Solid State Physics for 21st century</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
NPJ Computational
ISSN
2057-3960
e-ISSN
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Volume of the periodical
6
Issue of the periodical within the volume
1
Country of publishing house
GB - UNITED KINGDOM
Number of pages
7
Pages from-to
1-7
UT code for WoS article
000564136700001
EID of the result in the Scopus database
2-s2.0-85089424887