High-Stability Light-Element Magnetic Superatoms Determined by Hund's Rule

Achieving stable high-magnetism light-element structures at nanoscale is vital to the field of magnetism, which has traditionally been ruled by transition-metal elements with localized d or f electrons. By first-principles calculations, we show that superatoms made of pure earth-abundant light elements (i.e., boron and nitrogen) exhibit desired magnetic properties that rival those of rare-earth elements, and the magnetism is dictated entirely by Hund's maximum spin rule. Importantly, the chemical and structural stabilities of the superatoms are not jeopardized by its high spins and are in fact better than those of transition-metal-element-embedded clusters. Our work thus establishes the basic principles for designing novel light-element, high-stability, and high-moment magnetic superatoms.