The effect of hydrogenation on the crystal structure and magnetic state in Pd3Mn
2001 (English)In: Journal of Magnetism and Magnetic Materials, ISSN 0304-8853, Vol. 226-230, no Part 1, 1040-1041 p.Article in journal (Refereed) Published
The effect of hydrogenation on the crystalstructure and magneticstate of Pd3Mn has been calculated using a full-potential linear augmented plane wave method in the local spin density approximation.When hydrogenated the system is observed to transform from the tetragonal Al3Zr structure to the cubic Cu3Au structure. When hydrogen is removed the system remains in a meta-stable cubic phase for an extended period of time. The structural transformations are associated with a change in the magneticstate. Our theoretical results of magnetic as well as crystalstructure stability are in agreement with experiments, especially the destabilization of the tetragonal structure for increased hydrogen concentration and complex magneticstructure of the cubic phases. The latter is analyzed in terms of Fermi surface nesting.
Place, publisher, year, edition, pages
2001. Vol. 226-230, no Part 1, 1040-1041 p.
Phase transformation, Spin spiral, Theory
IdentifiersURN: urn:nbn:se:uu:diva-89502DOI: 10.1016/S0304-8853(00)01199-9OAI: oai:DiVA.org:uu-89502DiVA: diva2:161017