Optoelectronic properties of XYAs2 (X=Zn, Cd; Y=Si, Sn) chalcopyrite compounds

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43922000" target="_blank" >RIV/49777513:23640/14:43922000 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Optoelectronic properties of XYAs2 (X=Zn, Cd; Y=Si, Sn) chalcopyrite compounds
Original language description
First principle calculations are performed to predict the electronic and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn) semiconductors chalcopyrite. Our calculated results are in excellent agreement with the available experimental values. The bandgap values decrease by changing the cations X from Zn to Cd as well as Y from Si to Ge to Sn in XYAs2. The Zn and Cd-d states contribute significantly in the density of states. The distribution of thevalence charge density indicates theexistence ofthe covalent bonding between cations and anion. Optical properties of these compounds are described in terms of refractive index and reflectivity. The predicted refractive indexes are in excellent agreement with the measured ones.CdGeAs2 possess a high birefringence compared to the other compounds.Reflectivity is above 50% in the visible and ultraviolet regions of energy spectrum. The nature of the direct band gap in these compounds and their high reflectivity in visible and ultraviolet (UV) reg
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
BE - Theoretical physics
OECD FORD branch
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Project
<a href="/en/project/ED2.1.00%2F03.0088" target="_blank" >ED2.1.00/03.0088: Centre of the New Technologies and Materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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