NaAuS chicken-wire-like semiconductor: Electronic structure and optical properties
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F13%3A43885153" target="_blank" >RIV/60076658:12520/13:43885153 - isvavai.cz</a>
Alternative codes found
RIV/68407700:21220/14:00209003
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0925838813018434" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0925838813018434</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jallcom.2013.07.208" target="_blank" >10.1016/j.jallcom.2013.07.208</a>
Alternative languages
Result language
angličtina
Original language name
NaAuS chicken-wire-like semiconductor: Electronic structure and optical properties
Original language description
The electronic structure, charge density and optical properties of NaAuS a chicken-wire-like semiconductor was calculated using full potential linear augmented plane wave based on density functional theory. The Ceperley-Alder local density approximation,Perdew Becke Ernzerhof Generalized gradient approximation and Engel Voskov Generalized Gradient Approximation were applied to solve the exchange correlation potential. The investigation of band structures and density of states elucidates that Engle Vasko Generalized Gradient Approximation shows close agreement to the experimental data. The calculated valence charge density shows pure ionic nature of Au-Au bond. It becomes partially covalent when Au is connected with two Na atoms. The linear optical susceptibilities of chicken-wire-like NaAuS semiconductor are calculated so as to obtain further insight into the electronic properties. The uniaxial anisotropy is -0.0005, indicating the strong anisotropy of the dielectric function in the N
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>S - Specificky vyzkum na vysokych skolach
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
Journal of Alloys and Compounds
ISSN
0925-8388
e-ISSN
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Volume of the periodical
582
Issue of the periodical within the volume
Neuveden
Country of publishing house
CH - SWITZERLAND
Number of pages
6
Pages from-to
6-11
UT code for WoS article
000325468100002
EID of the result in the Scopus database
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