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Magnetochemical origin for Invar anomalies in iron-nickel alloys
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UNSPECIFIED (2002) Magnetochemical origin for Invar anomalies in iron-nickel alloys. PHYSICAL REVIEW B, 66 (1). -. doi:10.1103/PhysRevB.66.014416 ISSN 1098-0121.
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Official URL: http://dx.doi.org/10.1103/PhysRevB.66.014416
Abstract
Zero- and finite-temperature (T) first-principles calculations versus composition (c) show that magnetochemical effects lead to Invar anomalies in Fe-(Ni, Co, Pt) alloys. Chemical short- or long-range order and negative interatomic exchange interaction of electrons in antibonding majority-spin states force the face-centered-cubic lattice to compete simultaneously for a smaller volume (from antiferromagnetic tendencies) and a larger volume (from Stoner ferromagnetic tendencies). The resulting additional negative lattice anharmonicity is very large for Fe-(Ni, Co) while absent for Fe-Pt. Our results explain the T- and c-dependent behavior of Invar properties, including the lattice softening and thermal expansion of Fe-Ni. In addition, the occurrence of a noncollinear spin structure at T=0 K near Invar can be understood on the basis of our results.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QC Physics | ||||
| Journal or Publication Title: | PHYSICAL REVIEW B | ||||
| Publisher: | AMERICAN PHYSICAL SOC | ||||
| ISSN: | 1098-0121 | ||||
| Official Date: | 1 July 2002 | ||||
| Dates: |
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| Volume: | 66 | ||||
| Number: | 1 | ||||
| Number of Pages: | 8 | ||||
| Page Range: | - | ||||
| DOI: | 10.1103/PhysRevB.66.014416 | ||||
| Publication Status: | Published |
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