Mechanical and thermodynamical properties of hexagonal compounds at optimized lattice parameters from two-dimensional search of the equation of state

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43924013" target="_blank" >RIV/49777513:23640/14:43924013 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/c4ra09358e" target="_blank" >http://dx.doi.org/10.1039/c4ra09358e</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c4ra09358e" target="_blank" >10.1039/c4ra09358e</a>

Result language
angličtina
Original language name
Mechanical and thermodynamical properties of hexagonal compounds at optimized lattice parameters from two-dimensional search of the equation of state
Original language description
We have calculated the mechanical and thermodynamical properties of selected hexagonal structures by using the optimized lattice parameters (a and c) from two-dimensional (2D) search of the equation of state (EOS) within the appropriate exchange-correlation functional.
Czech name
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Czech description
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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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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)

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Result description