Density functional study of optical properties of beryllium chalcogenides compounds in nickel arsenide B8 structure
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F12%3A43884019" target="_blank" >RIV/60076658:12520/12:43884019 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.physb.2011.09.127" target="_blank" >http://dx.doi.org/10.1016/j.physb.2011.09.127</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.physb.2011.09.127" target="_blank" >10.1016/j.physb.2011.09.127</a>
Alternative languages
Result language
angličtina
Original language name
Density functional study of optical properties of beryllium chalcogenides compounds in nickel arsenide B8 structure
Original language description
The structural, electronic and optical properties of beryllium chalcogenides BeS, BeSe and BeTe using the full-potential linear augmented plane wave (FP-LAPW) method are investigated. The exchange-correlation energy within the local density approximation(LDA) and the generalized gradient approximation (GGA) are described. The Engel-Vosko (EVGGA) formalism is applied for electronic and optical properties. The structural parameters of our model and the transition pressure from zinc-blende (B3) to the NiAs (B8) phase are confirmed. It is found that these compounds have indirect band gaps except for BeTe in NiAs (B8) phase. The results of reflectivity, refractive index and optical dielectric functions of Be compounds are investigated. An agreement is found between our results and those of other theoretical calculations and the experimental data.
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
BH - Optics, masers and lasers
OECD FORD branch
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Result continuities
Project
<a href="/en/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2012
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 - Condensed Matter
ISSN
0921-4526
e-ISSN
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Volume of the periodical
407
Issue of the periodical within the volume
3
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
11
Pages from-to
286-296
UT code for WoS article
000300596000002
EID of the result in the Scopus database
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