Towards from indirect to direct band gap and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn)
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43921996" target="_blank" >RIV/49777513:23640/14:43921996 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.physb.2014.02.021" target="_blank" >http://dx.doi.org/10.1016/j.physb.2014.02.021</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.physb.2014.02.021" target="_blank" >10.1016/j.physb.2014.02.021</a>
Alternative languages
Result language
angličtina
Original language name
Towards from indirect to direct band gap and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn)
Original language description
First principle calculations are performed to predict the electronic and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn) compounds. The calculations show an excellent agreement with the available experimental results as compared to previous calculations. The band gap value decreases by changing the cations X from Zn to Cd as well as Y from Si to Ge to Sn in XYP2. The d-states of the Zn and Cd contribute majorly in the density of states. Bonding nature in these compounds is analyzed from the electrondensity plots. Optical response of these compounds is noted from the complex refractive index and reflectivity spectra. The wide direct band gap and the high reflectivity in the visible and ultraviolet regions for these compounds make them potential candidates for optoelectronic and photonic applications.
Czech name
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Czech description
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Classification
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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Result continuities
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)
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physica B
ISSN
0921-4526
e-ISSN
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Volume of the periodical
441
Issue of the periodical within the volume
15.05.2014
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
6
Pages from-to
94-99
UT code for WoS article
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EID of the result in the Scopus database
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