- Accepted Paper
Sb-5p-mediated antiparallel Nd-Fe coupling in ${\rm Nd_3Fe_3Sb_7}$
Phys. Rev. Lett. - Accepted 28 October, 2026
DOI: https://doi.org/10.1103/67gw-6643
Phys. Rev. Lett. - Accepted 28 October, 2026
DOI: https://doi.org/10.1103/67gw-6643
We uncover the microscopic mechanism underlying the antiparallel Nd–Fe coupling in the intermetallic 4–3–5 compound NdFeSb by means of high-field x-ray magnetic circular dichroism (XMCD) spectroscopy, complemented by magnetization measurements and density-functional-theory (DFT) calculations. This coupling is unexpected for intermetallics composed of light rare-earth and transition-metal elements. Sb -edge XMCD measurements indicate a clear spin polarization of Sb 5 states antiparallel to the Fe 3 moments. DFT calculations reveal the site-dependent character of the Sb moments and, together with the Fe–Sb antiparallel alignment seen by XMCD, identify a Fe 3–Sb 5–Nd 5 hybridization pathway for the antiparallel Nd–Fe coupling. Pulsed-field XMCD reveals a field-induced spin reorientation through the evolution of the -axis projections of the Nd and Fe moments. NdFeSb, thus, provides a platform for exploring antiparallel rare-earth–transition-metal (–) coupling mediated by transition-metal 3–ligand –rare-earth 5 hybridization in light-– intermetallics with -elements.
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