Electronic and optical properties of β-Tb2(MoO4)3: DFT+U approach

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F16%3A43949438" target="_blank" >RIV/49777513:23640/16:43949438 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1140/epjb/e2016-70430-x" target="_blank" >http://dx.doi.org/10.1140/epjb/e2016-70430-x</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1140/epjb/e2016-70430-x" target="_blank" >10.1140/epjb/e2016-70430-x</a>

Result language
angličtina
Original language name
Electronic and optical properties of β-Tb2(MoO4)3: DFT+U approach
Original language description
The ground state properties of β-Tb2(MoO4)3 are investigated using the density functional theory plus U-Hubbard Hamiltonian. To ascertain the influence of the spin-polarization on the ground state properties of orthorhombic β-Tb2(MoO4)3, we have performed spin-polarization calculations and the spin-polarized electronic band structure for spin-up (↑) and spin-down (↓) are calculated
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

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
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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