Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F09%3A00010053" target="_blank" >RIV/60076658:12640/09:00010053 - isvavai.cz</a>
Alternative codes found
RIV/67179843:_____/09:00342938
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4
Original language description
We present the results of the ab initio theoretical study of the linear and nonlinear optical susceptibilities for the HgGa2S4 single crystals using the all electron full potential-linearized augmented plane wave (FPLAPW) method as implemented in the WIEN2K code. We employed generalized gradient approximation (GGA), which is based on exchange-correlation energy optimization to calculate the total energy. We have used the Engel-Vosko GGA formalism, which optimizes the corresponding potential for band structure and optical susceptibilities calculations. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma resulting in a direct energy gap. We present calculations of the frequency-dependent complex dielectric function epsilon(omega) and its zero-frequency limit epsilon(1)(0). The optical properties are analyzed, and the origin of some of the spectral peaks is discussed in terms of the calculated electronic band structure. The edge
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
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Current Opinion in Solid State & Materials Science
ISSN
1359-0286
e-ISSN
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Volume of the periodical
12
Issue of the periodical within the volume
1
Country of publishing house
GB - UNITED KINGDOM
Number of pages
5
Pages from-to
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UT code for WoS article
000265047700003
EID of the result in the Scopus database
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