From micro-to macroscopic: Understanding optical properties in zinc-blend-derived materials Cu2ZnYX4(X = S, Se, Te, Y = Si, Ge, Sn) by means of the quantum chemical topology analysis

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43927114" target="_blank" >RIV/49777513:23640/15:43927114 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11310/15:10315380
Result on the web
<a href="http://dx.doi.org/10.1016/j.jallcom.2015.08.270" target="_blank" >http://dx.doi.org/10.1016/j.jallcom.2015.08.270</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jallcom.2015.08.270" target="_blank" >10.1016/j.jallcom.2015.08.270</a>

Result language
angličtina
Original language name
From micro-to macroscopic: Understanding optical properties in zinc-blend-derived materials Cu2ZnYX4(X = S, Se, Te, Y = Si, Ge, Sn) by means of the quantum chemical topology analysis
Original language description
ntensive calculations in the framework of the density functional theory (DFT) scheme have been carried out in order to predict accurately the dynamical stability and electronic properties of the zinc-blend derived Cu2ZnYX4(X = S, Se, Te, Y=Si, Ge, Sn) compounds.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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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)

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Result description