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Journal
2011 | 9 | 2 | 502-509
Article title

First-principles LCAO study of phonons in NiWO4

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EN
Abstracts
EN
The electronic, structural and phonon properties of antiferromagnetic wolframite-type NiWO4 have been studied using first-principles spin-polarized LCAO calculations based on the hybrid Hartree-Fock (HF)/density functional (DFT) scheme. The influence of different percentages of HF contribution, i.e. different correlation strength, on the structure and phonon frequencies has been investigated and compared with the available experimental data.
Keywords
Publisher
Journal
Year
Volume
9
Issue
2
Pages
502-509
Physical description
Dates
published
1 - 4 - 2011
online
20 - 2 - 2011
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.-psjd-doi-10_2478_s11534-010-0091-z
Identifiers
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