Specific features of electronic structures and optical susceptibilities of molybdenum oxide

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43925167" target="_blank" >RIV/49777513:23640/15:43925167 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/c5ra00081e" target="_blank" >http://dx.doi.org/10.1039/c5ra00081e</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c5ra00081e" target="_blank" >10.1039/c5ra00081e</a>

Result language
angličtina
Original language name
Specific features of electronic structures and optical susceptibilities of molybdenum oxide
Original language description
Orthorhombic molybdenum trioxide, a-MoO3, is comprehensively investigated using density function theory based on the all-electron full potential linear augmented plane wave (FPLAPW) method as implemented in the WIEN2k code within four types of exchange correlation potentials, namely, the local density approximation (CA-LDA), generalized gradient approximation (PBE-GGA), Engel-Vosko generalized gradient approximation (EVGGA) and the modified Becke-Johnson potential (mBJ).
Czech name
—
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
—

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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