Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment
Abstract
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.
- Authors:
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1225548
- Alternate Identifier(s):
- OSTI ID: 1227434
- Report Number(s):
- IS-J-8804
Journal ID: ISSN 0031-9007; PRLTAO; 207201
- Grant/Contract Number:
- AC02-07CH11358; EP/J06750/1
- Resource Type:
- Published Article
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Name: Physical Review Letters Journal Volume: 115 Journal Issue: 20; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Petit, L., Paudyal, D., Mudryk, Y., Gschneidner, K. A., Pecharsky, V. K., Lüders, M., Szotek, Z., Banerjee, R., and Staunton, J. B. Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment. United States: N. p., 2015.
Web. doi:10.1103/PhysRevLett.115.207201.
Petit, L., Paudyal, D., Mudryk, Y., Gschneidner, K. A., Pecharsky, V. K., Lüders, M., Szotek, Z., Banerjee, R., & Staunton, J. B. Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment. United States. https://doi.org/10.1103/PhysRevLett.115.207201
Petit, L., Paudyal, D., Mudryk, Y., Gschneidner, K. A., Pecharsky, V. K., Lüders, M., Szotek, Z., Banerjee, R., and Staunton, J. B. Mon .
"Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment". United States. https://doi.org/10.1103/PhysRevLett.115.207201.
@article{osti_1225548,
title = {Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment},
author = {Petit, L. and Paudyal, D. and Mudryk, Y. and Gschneidner, K. A. and Pecharsky, V. K. and Lüders, M. and Szotek, Z. and Banerjee, R. and Staunton, J. B.},
abstractNote = {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.},
doi = {10.1103/PhysRevLett.115.207201},
journal = {Physical Review Letters},
number = 20,
volume = 115,
place = {United States},
year = {Mon Nov 09 00:00:00 EST 2015},
month = {Mon Nov 09 00:00:00 EST 2015}
}
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