Change search
ReferencesLink to record
Permanent link

Direct link
Intermetallic solid solution Fe1-xCoxGa3: Synthesis, structure, NQR study and electronic band structure calculations
Show others and affiliations
2012 (English)In: Journal of Solid State Chemistry, ISSN 0022-4596, E-ISSN 1095-726X, Vol. 194, 361-368 p.Article in journal (Refereed) Published
Abstract [en]

Unlimited solid solution Fe1-xCoxGa3 was prepared from Ga flux. Its crystal structure was refined for Fe0.5Co0.5Ga3 (P4(2)/mnm, a=6.2436(9), c=6.4654(13), Z=4) and showed no ordering of the metal atoms. A combination of the electronic band structure calculations within the density functional theory (DFT) approach and Ga-69,Ga-71 nuclear quadrupole resonance (NRQ) spectroscopy clearly shows that the Fe-Fe and Co-Co dumbbells are preferred to the Fe-Co dumbbells in the crystals structure. The band structure features a band gap of about 0.4 eV, with the Fermi level crossing peaks of a substantial density of electronic states above the gap for x > 0. The solid solution is metallic for x > 0.025. The study of the nuclear spin-lattice relaxation shows that the rate of the relaxation, 1/T-1, is very sensitive to the Co concentration and correlates well with the square of the density of states at the Fermi level, N-2(E-F).

Place, publisher, year, edition, pages
2012. Vol. 194, 361-368 p.
Keyword [en]
Intermetallics, Iron, Cobalt, Nuclear quadrupole resonance, Solid solution, Crystal and electronic structure
National Category
Inorganic Chemistry Physical Chemistry
URN: urn:nbn:se:su:diva-82126DOI: 10.1016/j.jssc.2012.05.041ISI: 000308896400053OAI: diva2:566748


Available from: 2012-11-09 Created: 2012-11-08 Last updated: 2012-11-09Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Okhotnikov, Kirill S.
By organisation
Department of Materials and Environmental Chemistry (MMK)
In the same journal
Journal of Solid State Chemistry
Inorganic ChemistryPhysical Chemistry

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 52 hits
ReferencesLink to record
Permanent link

Direct link