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Pregled bibliografske jedinice broj: 296516

Magnetic properties of DyCo5 and TbCo5 intermetallics from the electronic structure calculations

Miletić, Goran; Blažina, Želimir
Magnetic properties of DyCo5 and TbCo5 intermetallics from the electronic structure calculations // Journal of Solid State Chemistry, 180 (2007), 2; 604-610 doi:10.1016/j.jssc.2006.11.010 (međunarodna recenzija, članak, znanstveni)

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Naslov
Magnetic properties of DyCo5 and TbCo5 intermetallics from the electronic structure calculations

Autori
Miletić, Goran ; Blažina, Želimir

Izvornik
Journal of Solid State Chemistry (0022-4596) 180 (2007), 2; 604-610

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
magnetically ordered materials; rare earth intermetallics; DFT calculations

Sažetak
LSDA and LSDA+U calculations, with spin orbit coupling (SOC) included, were performed for DyCo5 and TbCo5 intermetallic compounds. In the case of magnetic moments, LSDA-SOC calculations give results in good agreement with the experimental data. However, LSDA has shown to be unable to predict relative stabilities of ferromagnetic and ferrimagnetic configurations of the 4f and 3d spin sublattices giving the wrong result that the ferromagnetic configuration is more stable. LSDA+U method cures this problem and gives correct result. Additionally, within the accuracy of available experimental data, the corresponding effective exchange fields are in reasonable agreement with experiment.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA

Projekti:
098-0982904-2941 - Metalni hidridi u čistim energetskim sustavima (Drašner, Antun, MZOS ) ( CroRIS)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Želimir Blažina (autor)

Avatar Url Goran Miletić (autor)

Poveznice na cjeloviti tekst rada:

doi www.sciencedirect.com

Citiraj ovu publikaciju:

Miletić, Goran; Blažina, Želimir
Magnetic properties of DyCo5 and TbCo5 intermetallics from the electronic structure calculations // Journal of Solid State Chemistry, 180 (2007), 2; 604-610 doi:10.1016/j.jssc.2006.11.010 (međunarodna recenzija, članak, znanstveni)
Miletić, G. & Blažina, Ž. (2007) Magnetic properties of DyCo5 and TbCo5 intermetallics from the electronic structure calculations. Journal of Solid State Chemistry, 180 (2), 604-610 doi:10.1016/j.jssc.2006.11.010.
@article{article, author = {Mileti\'{c}, Goran and Bla\v{z}ina, \v{Z}elimir}, year = {2007}, pages = {604-610}, DOI = {10.1016/j.jssc.2006.11.010}, keywords = {magnetically ordered materials, rare earth intermetallics, DFT calculations}, journal = {Journal of Solid State Chemistry}, doi = {10.1016/j.jssc.2006.11.010}, volume = {180}, number = {2}, issn = {0022-4596}, title = {Magnetic properties of DyCo5 and TbCo5 intermetallics from the electronic structure calculations}, keyword = {magnetically ordered materials, rare earth intermetallics, DFT calculations} }
@article{article, author = {Mileti\'{c}, Goran and Bla\v{z}ina, \v{Z}elimir}, year = {2007}, pages = {604-610}, DOI = {10.1016/j.jssc.2006.11.010}, keywords = {magnetically ordered materials, rare earth intermetallics, DFT calculations}, journal = {Journal of Solid State Chemistry}, doi = {10.1016/j.jssc.2006.11.010}, volume = {180}, number = {2}, issn = {0022-4596}, title = {Magnetic properties of DyCo5 and TbCo5 intermetallics from the electronic structure calculations}, keyword = {magnetically ordered materials, rare earth intermetallics, DFT calculations} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus

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  • Chemical Abstracts

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