Title: | Elektronické a optické vlastnosti β-Tb2 (MoO4) 3: přístup DFT + U Electronic and optical properties of β-Tb2(MoO4)3: DFT+U approach |
Authors: | Al-Jaary, Ali H. Reshak |
Citation: | AL-JAARY, A. H. R. Electronic and optical properties of β-Tb2(MoO4)3: DFT+U approach. European physical journal B, 2016, roč. 89, č. 11. ISSN 1434-6028. |
Issue Date: | 2016 |
Publisher: | EDP Sciences |
Document type: | článek article |
URI: | http://hdl.handle.net/11025/29291 |
ISSN: | 1434-6028 |
Keywords: | elektronické struktury;optické náchylnosti |
Keywords in different language: | electronic structures;optical susceptibilities |
Abstract: | Vlastnosti bazálního stavu β-Tb2 (MoO4) 3 jsou zkoumány za použití funkční hustoty teorie plus U-Hubbard Hamiltonian. Pro zjištění vlivu spin-polarizace na vlastnosti půdního stavu ortorombického β-Tb2 (MoO4) 3 jsme provedli výpočty spin-polarizace a spin-polarizovanou elektronickou strukturu pásma pro spin-up (↑) a spin-down (↓) |
Abstract in different language: | 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 |
Rights: | Plný text není přístupný. © EDP Sciences |
Appears in Collections: | Články / Articles (CTM) OBD |
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