Transmission electron microscopy of Ru7B3 borides

Morniroli, J. P.; Ayatti, H.; Knowles, Kevin M.; Stobbs, W. M.; Gantois, M.

doi:10.1016/0022-5088(89)90230-0

Cited by 9 publications

(9 citation statements)

References 12 publications

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“…186͒. 18,19 The other form has an orthorhombic lattice. [20][21][22] Table I shows the calculated lattice parameters of the Fe 7 C 3 forms, as well as for -Fe 3 C. Table II shows the calculated coordinates of atoms and local magnetic moments which were obtained from the difference of the integrated densities of states for the spin-up ͑majority͒ and spin-down ͑minority͒ electrons in the spheres of the atoms.…”

Section: B Stability Of the Fe 7 C 3 Phasesmentioning

confidence: 99%

“…On the one hand, Herbstein and Snyman determined Fe 7 C 3 to be isostructural to Ru 7 B 3 and to have a hexagonal lattice. 18,19 On the other hand, an orthorhombic lattice was determined for Fe 7 C 3 by Fruchart and co-workers. 20,21 The relationship between the two structures has been a topic of discussion.…”

Section: Introductionmentioning

confidence: 99%

“…27 These polytypes can be constructed from the two basic structures: the hexagonal lattice and the orthorhombic one. [18][19][20][21][22]27 There are only a few theoretical papers about the Fe 7 C 3 phases. Xie and co-workers investigated the structures and stability of M 7 C 3 ͑M = Cr, Mn, and Fe͒ by means of an atomistic approach.…”

Section: Introductionmentioning

confidence: 99%

“…20,21 The relationship between the two structures has been a topic of discussion. 2,3,19,[22][23][24][25][26][27] Senczyk analyzed the lattice relationship of the two structures of Fe 7 C 3 and concluded that they are strongly related. 22 Kowalski also reported a number of polytypes of Fe 7 C 3 .…”

Section: Introductionmentioning

confidence: 99%

“…The information obtained here is helpful to understand the formation and stability of the Fe 7 C 3 phases and contributes to a complete understanding of the structural, electronic, and magnetic properties that are of interest to industrial applications. 17,[19][20][21][22][23][24][25][26][27] …”

Section: Introductionmentioning

confidence: 99%

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Structural, electronic, and magnetic properties of iron carbideFe7C3phases from first-principles theory

2009

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The iron carbide Fe 7 C 3 exhibits two types of basic crystal structures, an orthorhombic ͑o-͒ form and a hexagonal ͑h-͒ one. First-principles calculations have been performed for the basic Fe 7 C 3 forms and for the related -Fe 3 C cementite phase. Accurate total-energy calculations show that the stability of Fe 7 C 3 is comparable to that of -Fe 3 C. The o-Fe 7 C 3 phase is more stable than the hexagonal one, in contrast to recent atomistic simulations. Furthermore, the calculations also show a rather low energy for a carbon vacancy in the o structure, which implies possible C deficiency in the lattice. Both Fe 7 C 3 phases are ferromagnetic metals. Electronic band-structure calculations show that all Fe atoms exhibit high-spin states with the majority of their 3d states being almost fully occupied. From an analysis of the structural and energetic properties, the formation of the o phase in steel treatment processes and of h form in carburization of ferrite is discussed.

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Section: B Stability Of the Fe 7 C 3 Phasesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%