Predicted Thermoelectric Properties of the Layered XBi4S7 (X = Mn, Fe) Based Materials: First Principles Calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F17%3A43932494" target="_blank" >RIV/49777513:23640/17:43932494 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/s11664-016-4884-8" target="_blank" >http://dx.doi.org/10.1007/s11664-016-4884-8</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s11664-016-4884-8" target="_blank" >10.1007/s11664-016-4884-8</a>
Alternative languages
Result language
angličtina
Original language name
Predicted Thermoelectric Properties of the Layered XBi4S7 (X = Mn, Fe) Based Materials: First Principles Calculations
Original language description
We report a theoretical investigation of electronic structures, optical and thermoelectric properties of two ternary-layered chalcogenides, MnBi4S7 and FeBi4S7 , by combining the first principles density functional calculations and semi-local Boltzmann transport theory. The calculated electronic band structure have demonstrated that both compounds exhibit indirect band gaps. The optical transitions are explored via the dielectric function (real and imaginary parts) along with other related optical constants including refractive index, reflectivity, and energy loss spectrum. These chalcogenides have exhibited interesting thermoelectric properties such as Seebeck’s coefficient, electrical and thermal conductivity, and power factor as function of temperatures.
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
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
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
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
JOURNAL OF ELECTRONIC MATERIALS
ISSN
0361-5235
e-ISSN
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Volume of the periodical
46
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
23-29
UT code for WoS article
000391126900004
EID of the result in the Scopus database
2-s2.0-84991386886