Pregled bibliografske jedinice broj: 392079
Magnetic order in ErCo5 and TmCo5 from electronic structure calculations
Magnetic order in ErCo5 and TmCo5 from electronic structure calculations // Journal of magnetism and magnetic materials, 321 (2009), 15; 2300-2303 doi:10.1016/j.jmmm.2009.02.121 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 392079 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Magnetic order in ErCo5 and TmCo5 from electronic structure calculations
Autori
Miletić, Goran ; Blažina, Želimir
Izvornik
Journal of magnetism and magnetic materials (0304-8853) 321
(2009), 15;
2300-2303
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Magnetically ordered material ; Rare earth intermetallic ; DFT calculation
Sažetak
Electronic structure calculations for the intermetallic compounds ErCo5 and TmCo5 were performed within LSDA and LSDA+U approaches. It was found that LSDA gives poor results regarding 4f magnetic moments and the type of magnetic order in the ground state. LSDA+U gives considerable improvement in the descriptions of the abovementioned magnetic properties. Theoretically obtained 4f magnetic moments and effective exchange fields which are related to the relative stabilities of ferrimagnetic and ferromagnetic configurations are compared with the experimental data. A set of values of Coulomb parameter U4f was employed in the calculations, and the corresponding results indicated its influence on the agreement between theoretical and experimental data.
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
Citiraj ovu publikaciju:
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
