X-ray electron density analysis of chemical bonding in permanent magnet Nd₂Fe₁₄B.

ABSTRACT: Chemical bonding determines the intrinsic properties of materials, but despite the super-strong metallic magnet Nd₂Fe₁₄B being a vital compound in modern life, the local chemical environment is not well understood. Nd₂Fe₁₄B has a very complex crystal structure with six independent Fe sites, two independent Nd sites and one B site, which in concert are responsible for the extremely high magnetic moment. Dense inorganic materials with excellent crystal quality and heavy atoms represent a strong challenge to X-ray charge density analysis, and indeed Nd₂Fe₁₄B has a mere suitability factor of 0.02 compared with 3-5 for typical organic molecular crystals. Here, we report high-energy (λ = 0.2482 Å) 25 K single-crystal synchrotron X

SUBMITTER: Vosegaard ES 

PROVIDER: S-EPMC12573920 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature