• Accepted Paper

Sb-5p-mediated antiparallel Nd-Fe coupling in ${\rm Nd_3Fe_3Sb_7}$

S. Palazzese, Sh. Yamamoto, T. Kotte, R. Ray, F. Pabst, S. Chattopadhyay, D. I. Gorbunov, T. Herrmannsdörfer, K. Kummer, A. Kurtanidze, E. Weschke, O. Prokhnenko, K. Yamamoto, Y. Kotani, H. Nojiri, M. Ruck, Manuel Richter, and J. Wosnitza

Phys. Rev. Lett. - Accepted 28 October, 2026

DOI: https://doi.org/10.1103/67gw-6643

Abstract

We uncover the microscopic mechanism underlying the antiparallel Nd–Fe coupling in the intermetallic 4f–3d–5p compound Nd3Fe3Sb7 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 M4,5-edge XMCD measurements indicate a clear spin polarization of Sb 5p states antiparallel to the Fe 3d 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 3d–Sb 5p–Nd 5d hybridization pathway for the antiparallel Nd–Fe coupling. Pulsed-field XMCD reveals a field-induced spin reorientation through the evolution of the c-axis projections of the Nd and Fe moments. Nd3Fe3Sb7, thus, provides a platform for exploring antiparallel rare-earth–transition-metal (R–T) coupling mediated by transition-metal 3d–ligand p–rare-earth 5d hybridization in light-R–T intermetallics with p-elements.

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