Szczegóły publikacji
Opis bibliograficzny
Structural and electronic properties of the $\mu-phase$ $Fe-Mo$ compounds / J. CIEŚLAK, J. PRZEWOŹNIK, S. M. DUBIEL // Journal of Alloys and Compounds ; ISSN 0925-8388. — 2014 — vol. 612, s. 465–470. — Bibliogr. s. 470, Abstr.
Autorzy (3)
Słowa kluczowe
Dane bibliometryczne
| ID BaDAP | 82694 |
|---|---|
| Data dodania do BaDAP | 2014-07-24 |
| Tekst źródłowy | URL |
| DOI | 10.1016/j.jallcom.2014.05.201 |
| Rok publikacji | 2014 |
| Typ publikacji | artykuł w czasopiśmie |
| Otwarty dostęp |  |
| Czasopismo/seria | Journal of Alloys and Compounds |
Abstract
Structural (lattice parameters and sub lattice occupancies) and electronic (charge-density and electric field gradient) properties in a series of mu-Fe100-xMox (37.5 <= x <= 44.5) compounds were studied experimentally (X-ray diffraction and Mossbauer spectroscopy) and theoretically (charge and spin self-consistent Korringa-Kohn-Rostoker Green's function method). The lattice parameters a and c showed a linear increase with x while all five lattice sites were found to be populated by both alloying elements: A(1a) and B(6h) predominantly by Fe atoms whereas C(2c) and D(2c ') by Mo atoms hardly depending on the composition. The population of Fe atoms on the site E(2c ”) was ranging between similar to 50% at x = 37.5 and similar to 20% at x = 44.5. Fe-site charge-density (isomer shift) and the electric field gradient (quadrupole splitting, QS) were revealed to be characteristic of the lattice site and both of them were almost x-independent. The difference in the charge-density at Fe-atoms at the sites B (the highest value) and those at the sites D (the lowest value) was estimated as high as 0.18 e. The average charge-density increases linearly with x. The largest QS-values were those at the sites A and C, while the smallest ones at the site D. The average QS-value was 0.25 mm/s. (C) 2014 Elsevier B.V. All rights reserved.
