V. ThakorJ. B. StauntonJ. PoulterS. OstaninB. GinatempoEzio BrunoThe University of WarwickMahidol UniversityUniversita degli Studi di Messina2018-07-242018-07-242003-05-19Physical Review B - Condensed Matter and Materials Physics. Vol.67, No.18 (2003)1550235X109801212-s2.0-0038016606https://repository.li.mahidol.ac.th/handle/20.500.14594/20953We 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 qinc= (0.56, 0.22, 0). We show that qincis linked to a Fermi-surface nesting feature. For the lowest pressure 16 GPa at which hcp Fe forms, we find that these modes become unstable below a Néel temperature (TN) of 69 K. TNrapidly 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. © 2003 The American Physical Society.Mahidol UniversityMaterials SciencePhysics and AstronomyArticleSCOPUS10.1103/PhysRevB.67.180405