The Lattice Dynamics of Ni0.88Fe0.12, Ni0.76Fe0.24 and Ni Single Crystals

Maliszewski, E.; Bednarski, S.

doi:10.1002/1521-3951(199704)200:2<435::aid-pssb435>3.0.co;2-y

Cited by 5 publications

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“…The results of the two methods are presented and compared in relation to the electronic structure calculations and the experimental findings reported in Ref. [3,9].…”

Section: Introductionmentioning

confidence: 99%

First-principles study of lattice instabilities in ferromagnetic L1₂ Fe₃Ni: direct force constants method versus linear response

2006

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The phonon-dispersion relations for ferromagnetic Fe 3 Ni in the L1 2 structure are computed along the high symmetry directions using two powerful first-principles techniques: direct force constants method, which is used in conjunction with a standard ab-initio method, and the linear response approach that is based entirely on the density-functional-perturbation theory. The two methods have been applied with success to reveal the experimental observations that characterize the Invar problem in Fe 3 Ni most especially in the [110] direction. They also help to shed more light on the additional softening of the TA mode being speculated in [111] direction.

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“…The results of the two methods are presented and compared in relation to the electronic structure calculations and the experimental findings reported in Ref. [3,9].…”

Section: Introductionmentioning

confidence: 99%

First-principles study of lattice instabilities in ferromagnetic L1₂ Fe₃Ni: direct force constants method versus linear response

2006

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“…1.. Furthermore, the experimental values measured by Maliszewski and Bednarski [13] of the alloy are also shown by the symbols (•, full A, o) in Fig. 1 for comparison. The close scrutiny of Fig.…”

Section: Resultsmentioning

confidence: 87%

“…In the mean-crystal model the equilibrium pair energy, bulk modulus, and total cohesive energy were used as the input data. Then we computed the ab initio radial (az), tangential (ßj ) and three-body (y) force constants for Ni, Fe and [13]. The solid curves show the computed dispersion curves according to the many-body interactions.…”

Section: Resultsmentioning

confidence: 99%

“…Recently the phonon frequencies for Ni-24%Fe binary type-II alloy have been measured using inelastic neutron scattering at room temperature [13]. The interesting feature of Ni-Fe binary type-II alloys is that the two constituents of the alloy are in different phases, as Ni is in fcc phase and Fe in bcc phase at room temperature.…”

Section: Introductionmentioning

confidence: 99%

“…The interesting feature of Ni-Fe binary type-II alloys is that the two constituents of the alloy are in different phases, as Ni is in fcc phase and Fe in bcc phase at room temperature. However, the Ni-Fe alloys form a random solution having a fcc structure [13]. Due to their structural complexity, not much theoretical work has been done on Ni-Fe alloys, to reveal the lattice dynamics.…”

Section: Introductionmentioning

confidence: 99%

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The Lattice Dynamics of Ni-24%Fe Alloy Based on an Empirical Many-Body Potential

Akgün

Uğur

1999

Acta Phys. Pol. A

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We have developed an empirical many-body potential and used it to investigate the dynamical behaviours of fcc Ni-24%Fe alloy. The new many--body potential contains both two-and three-body atomic interactions. The two-body potential is expressed by the modified form of the generalized Morse potential and the three-body potential is developed based on the new two-body model potential. The parameters defining the many-body potential for Ni and Fe were computed following a procedure similar to the method defined by Akgun n and Ugur for fcc structure at the lattice constant of the alloy. The radial, tangential and three-body force constants of the alloy were calculated by the concentration averages of the computed force constants of the component metals. Finally, the phonon frequencies of the alloy along the principal symmetry directions were computed using the calculated two-and three-body force constants. The theoretical results were found to be in good agreement with the corresponding experimental values.

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Lattice dynamical and thermodynamic properties of FeNi3, FeNi and Fe3Ni invar materials

Pandya

Mevada

Gajjar

2016

Computational Materials Science

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The Lattice Dynamics of Ni0.88Fe0.12, Ni0.76Fe0.24 and Ni Single Crystals

Cited by 5 publications

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First-principles study of lattice instabilities in ferromagnetic L1₂ Fe₃Ni: direct force constants method versus linear response

First-principles study of lattice instabilities in ferromagnetic L1₂ Fe₃Ni: direct force constants method versus linear response

The Lattice Dynamics of Ni-24%Fe Alloy Based on an Empirical Many-Body Potential

Lattice dynamical and thermodynamic properties of FeNi3, FeNi and Fe3Ni invar materials

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The Lattice Dynamics of Ni0.88Fe0.12, Ni0.76Fe0.24 and Ni Single Crystals

Cited by 5 publications

References 0 publications

First-principles study of lattice instabilities in ferromagnetic L12 Fe3Ni: direct force constants method versus linear response

First-principles study of lattice instabilities in ferromagnetic L12 Fe3Ni: direct force constants method versus linear response

The Lattice Dynamics of Ni-24%Fe Alloy Based on an Empirical Many-Body Potential

Lattice dynamical and thermodynamic properties of FeNi3, FeNi and Fe3Ni invar materials

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Product

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First-principles study of lattice instabilities in ferromagnetic L1₂ Fe₃Ni: direct force constants method versus linear response

First-principles study of lattice instabilities in ferromagnetic L1₂ Fe₃Ni: direct force constants method versus linear response