Pregled bibliografske jedinice broj: 869504
Possible role of two iron sites in the metamagnetic transition observed in LaFe12B6
Possible role of two iron sites in the metamagnetic transition observed in LaFe12B6 // Journal of alloys and compounds, 430 (2007), 1/2; 9-12 doi:10.1016/j.jallcom.2006.04.062 (međunarodna recenzija, članak, znanstveni)
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Naslov
Possible role of two iron sites in the metamagnetic transition observed in LaFe12B6
Autori
Miletić, Goran ; Blažina, Želimir
Izvornik
Journal of alloys and compounds (0925-8388) 430
(2007), 1/2;
9-12
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
electronic band structure ; electronic properties ; phase transitions
Sažetak
Fixed spin moment calculations within TB-LMTO-ASA method using LSDA were performed for the compound LaFe12 B6 and for lattice constants taken from experimental data. Minima corresponding to the observed low moment and high moment states were found. However, their relative stability is not in agreement with experimental data. Fixed spin moment calculations on model compounds where Fe atoms at either crystallographic sites were replaced by Cu atoms were also performed. It was found that the stability of magnetic moment of Fe atoms at 18(h) site is much more dependent on environment than the stability of magnetic moment of Fe atoms at the 18(g) site.
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