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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). -. doi:10.1103/PhysRevB.67.180405 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 | ||||
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Subjects: | Q Science > QC Physics | ||||
Journal or Publication Title: | PHYSICAL REVIEW B | ||||
Publisher: | AMERICAN PHYSICAL SOC | ||||
ISSN: | 1098-0121 | ||||
Official Date: | 1 May 2003 | ||||
Dates: |
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Volume: | 67 | ||||
Number: | 18 | ||||
Number of Pages: | 4 | ||||
Page Range: | - | ||||
DOI: | 10.1103/PhysRevB.67.180405 | ||||
Publication Status: | Published |
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