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Ab initio calculations of incommensurate antiferromagnetic spin fluctuations in hcp iron under pressure
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UNSPECIFIED. (2003) Ab initio calculations of incommensurate antiferromagnetic spin fluctuations in hcp iron under pressure. PHYSICAL REVIEW B, 67 (18). -. ISSN 1098-0121
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Official URL: http://dx.doi.org/10.1103/PhysRevB.67.180405
Abstract
We present ab initio calculations of the static paramagnetic spin susceptibility for hcp iron at finite temperatures and for a range of pressures. The dominant magnetic fluctuations in hcp Fe are found to be incommensurate antiferromagnetic, characterized by the wave vector q(inc) = (0.56,0.22,0). We show that q(inc) is linked to a Fermi-surface nesting feature. For the lowest pressure similar to16 GPa at which hcp Fe forms, we find that these modes become unstable below a Neel temperature (T-N) of 69 K. T-N rapidly diminishes with increasing pressure. We therefore predict that hcp Fe will be found to have an incommensurate spin-density-wave-ordered state over a small pressure range starting with the onset of hcp phase. We note the coincidence with the superconductivity recently found in this material.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QC Physics |
| Journal or Publication Title: | PHYSICAL REVIEW B |
| Publisher: | AMERICAN PHYSICAL SOC |
| ISSN: | 1098-0121 |
| Date: | 1 May 2003 |
| Volume: | 67 |
| Number: | 18 |
| Number of Pages: | 4 |
| Page Range: | - |
| Identification Number: | 10.1103/PhysRevB.67.180405 |
| Publication Status: | Published |
| URI: | http://wrap.warwick.ac.uk/id/eprint/9658 |
Data sourced from Thomson Reuters' Web of Knowledge
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