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Title: Complex magnetism of lanthanide intermetallics and the role of their valence electrons: Ab Initio theory and experiment

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:
 [1] ;  [2] ;  [2] ;  [2] ;  [2] ;  [1] ;  [1] ;  [3] ;  [3]
  1. Daresbury Lab., Warrington (United Kingdom)
  2. Iowa State Univ., Ames, IA (United States)
  3. Univ. of Warwick, Coventry (United Kingdom)
Publication Date:
Report Number(s):
IS-J-8804
Journal ID: ISSN 0031-9007; PRLTAO
Grant/Contract Number:
AC02-07CH11358; EP/J06750/1
Type:
Published Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 115; Journal Issue: 20; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1225548
Alternate Identifier(s):
OSTI ID: 1227434

Petit, L., Paudyal, D., Mudryk, Y., Gschneidner, Jr., 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., Web. doi:10.1103/PhysRevLett.115.207201.
Petit, L., Paudyal, D., Mudryk, Y., Gschneidner, Jr., 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. doi:10.1103/PhysRevLett.115.207201.
Petit, L., Paudyal, D., Mudryk, Y., Gschneidner, Jr., K. A., Pecharsky, V. K., Lüders, M., Szotek, Z., Banerjee, R., and Staunton, J. B.. 2015. "Complex magnetism of lanthanide intermetallics and the role of their valence electrons: Ab Initio theory and experiment". United States. doi: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, Jr., 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 = {2015},
month = {11}
}