Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment

Petit, L.; Paudyal, D.; Mudryk, Y.; Gschneidner, K. A.; Pecharsky, V. K.; Lüders, M.; Szotek, Z.; Banerjee, R.; Staunton, J. B.

doi:10.1103/PhysRevLett.115.207201

Title: Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment

Journal Article · Mon Nov 09 00:00:00 EST 2015 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.115.207201· OSTI ID:1225548

Petit, L.; Paudyal, D.; Mudryk, Y.; Gschneidner, K. A.; Pecharsky, V. K.; Lüders, M.; Szotek, Z.; Banerjee, R.; Staunton, J. B.

We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab initio electronic structure theory which includes disordered local moments and strong f-electron correlations. The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts a remarkably large increase of Curie temperature with a pressure of +1.5 K kbar^–1 for GdCd confirmed by our experimental measurements of +1.6 K kbar^–1. Moreover, we find the origin of a ferromagnetic-antiferromagnetic competition in GdMg manifested by noncollinear, canted magnetic order at low temperatures. As a result, replacing 35% of the Mg atoms with Zn removes this transition, in excellent agreement with long-standing experimental data.

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Research Organization:: Ames Lab., Ames, IA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-07CH11358; EP/J06750/1

OSTI ID:: 1225548

Alternate ID(s):: OSTI ID: 1227434

Report Number(s):: IS-J-8804; PRLTAO; 207201

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Vol. 115 Journal Issue: 20; ISSN 0031-9007

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 16 works

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