Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe4
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F20%3A00340842" target="_blank" >RIV/68407700:21220/20:00340842 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1007/s10948-019-05331-1" target="_blank" >https://doi.org/10.1007/s10948-019-05331-1</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10948-019-05331-1" target="_blank" >10.1007/s10948-019-05331-1</a>
Alternative languages
Result language
angličtina
Original language name
Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe4
Original language description
A theoretical study of the structural, elastic, electronic, optical, magnetic, and thermoelectric properties of the newly synthetized diamond-like quaternary semiconductor CuMn2InSe4 was carried out in this paper. The calculated equilibrium structural parameters are in excellent agreement with available experimental data. The single-crystal and polycrystalline elastic moduli were predicted using energy strain technique. Electronic properties, including band energy dispersion, total and projected densities of states, and charge distribution map, were calculated and analyzed. Total and local magnetic moments were determined. Linear optical functions were predicted from the calculated band structure. We studied the chemical potential dependence of the thermoelectric parameters, including Seebeck coefficient, electrical conductivity, thermal conductivity, and power factor. The maximum power factor and the corresponding chemical potential are estimated. The obtained results were compared with available ones.
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
10306 - Optics (including laser optics and quantum optics)
Result continuities
Project
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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
The Journal of Superconductivity and Novel Magnetism
ISSN
1557-1939
e-ISSN
1557-1947
Volume of the periodical
33
Issue of the periodical within the volume
4
Country of publishing house
DE - GERMANY
Number of pages
12
Pages from-to
1091-1102
UT code for WoS article
000493269900001
EID of the result in the Scopus database
2-s2.0-85074699113