Electronic structure of substoichiometric Fe-Al intermetallics

Disorder effect on the magnetic behavior of mechanically alloyedFe1−xAlx(0.2Zamora1, Alcázar2, Vélez3 et al. 2009Phys. Rev. B482220View full textAdd to dashboardCite

“…The Fe-Al alloys form a complete solid solution series that has been the subject of a large deal of research efforts due to ͑i͒ the rich variety of magnetic order types observable in the series, 1-11 ͑ii͒ the relevant role of disorder in the occurrence of those magnetic phases, 1,2,4,8,10-13 ͑iii͒ the observation of expansion effects whose link to the induction of magnetic order is not completely established, 8,[16][17][18][19][20][21] and ͑iv͒ the applicability of these alloys as structural and corrosion/ oxidation resistant materials.…”

“…Apiñaniz et al 15 using a self-consistent electronic calculation showed that the induction of disorder in the Fe 0.5 Al 0.5 and Fe 0.75 Al 0.25 alloys increases the mean magnetic moment with respect to that measurable in the ordered ones, this increase being larger in the case of the Fe 0.5 Al 0.5 alloy. Das et al 16 using self-consistent electronic calculations based on the tight-binding linear muffin-tin orbital method showed, for the intermetallics Fe 1−x Al x with 0 ഛ x ഛ 0.5, that the Fe 0.5 Al 0.5 has two nearly degenerated states: a nonmagnetic state with zero moment on Fe and a F state with a moment of 0.75 B per Fe atom, and that the Fe 3 Al is F with a calculated moment of 2.45 B at the Fe-I site and 1.95 B at the Fe-II site. The bonding between the Fe and Al atoms is antiferromagnetic ͑AF͒ and is primarily due to hybridization between the 3d electrons of the former and the sp electrons of the latter.…”

“…This expansion was reported in ordered alloys produced by melting, 28 when they were mechanically grinded ͑MG͒ and then heat treated, [17][18][19][20][21][22] as well as in disordered melted alloys. 23 According to recent literature, 10,[16][17][18][19][20][21] the disorder and the lattice expansion observed in MG samples are jointly responsible for the enhancement of the F behavior and these effects are more notable for samples in the region between 40 and 50 at. % Al.…”

A pseudopotential density functional theory study of native defects and boron impurities in FeAl

“…Another measurement has ∆H f = −0.49 ± 0.03 eV [48]. Calculations by a linearized muffin-tin orbital method (self-consistent, LSDA-based) give ∆H f = −1.63 eV [20]. For a recent review of the subject see [49].…”

A Dilute-Limit Heat οf Solution of Aluminium in Iron Studied with57Fe Mössbauer Spectroscopy

“…At the same time from the findings concerning the impurity interactions one can easily derive the dilute-limit heat of solution of the impurity elements in iron [5]. The latter considerably increases importance of the studies as the experimental values of the heat play an essential role in developing and testing different models of binary alloys as well as methods for calculating the alloy parameters [6][7][8][9][10][11][12]. The main source of such experimental data are calorimetric studies of the heat of formation of binary systems [13].…”