EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F11%3A43882932" target="_blank" >RIV/60076658:12640/11:43882932 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1002/pssb.200945463" target="_blank" >http://dx.doi.org/10.1002/pssb.200945463</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/pssb.200945463" target="_blank" >10.1002/pssb.200945463</a>
Alternative languages
Result language
angličtina
Original language name
EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite
Original language description
We report results of first-principles density functional calculations using the full-potential linearized augmented plane wave method. The generalized gradient approximation (GGA) and the Engel-Vosko-GGA (EV-GGA) formalism were used for the exchange-correlation energy to calculate the structural, electronic, linear, and nonlinear optical properties of the chalcopyrite ZnCdTe(2) compound. The valence band maximum and the conduction band minimum are located at the G-point, resulting in a direct band gap of about 0.71 eV for GGA and 1.29 eV for EV-GGA. The results of bulk properties, such as lattice parameters (a, c, and u), bulk modulus B, and its pressure derivative B' are evaluated. The optical properties of this compound, namely the real and the imaginary parts of the dielectric function, reflectivity, and refractive index, show a considerable anisotropy as a consequence ZnCdTe(2) posseses a strong birefringence. In addition, the extinction coefficient, the electron energy loss functi
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
BO - Biophysics
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)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physica Status Solidi B - Basic Research
ISSN
0370-1972
e-ISSN
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Volume of the periodical
248
Issue of the periodical within the volume
3
Country of publishing house
DE - GERMANY
Number of pages
7
Pages from-to
712-718
UT code for WoS article
000288089900030
EID of the result in the Scopus database
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