Crystal spacing predicts magnetic states in complex alloys better than electron count

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Phys.org • September 30, 2026

Researchers have discovered that the spacing between atoms in certain alloys predicts magnetic states more accurately than the traditional electron-per-atom ratio. While scientists often use the number of electrons to classify magnetic properties in materials like Heusler alloys, this method has limitations when applied to complex quasicrystal-based compounds known as Tsai-type approximant crystals. These structures contain rare-earth elements arranged in specific geometric patterns within clusters.

A team led by Farid Labib and Kazuhiro Nawa from Japanese universities investigated a family of gold-based alloys containing terbium, dysprosium, and holmium. They found a consistent inverse relationship between the electron count and the distance between atoms, known as the lattice parameter. Their experiments revealed that specific magnetic orders, such as whirling antiferromagnetic and ferromagnetic states, depend heavily on this atomic spacing rather than just the electron concentration.

The study establishes precise thresholds for these magnetic behaviors based on atomic distance. Compounds with a lattice parameter above approximately 14.72 Å exhibit a whirling antiferromagnetic state, while those between 14.62 and 14.72 Å show a ferromagnetic state. Below 14.62 Å, the material enters a spin-glass state. This unified framework allows researchers to predict magnetic ground states with high accuracy using only a structural measurement, offering a practical roadmap for designing new materials with novel quantum phenomena.

Source: Phys.org • September 30, 2026

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