Hardness Enhancement by Metal–Metal Bonding in Mn 4 N, Mn 3 NiN, and Mn 3 PdN Antiperovskites
Abstract
PdN, were synthesized via high-pressure and high-temperature methods combined with high-temperature denitrogenation. Vickers hardness measurements revealed a consistent increase in hardness with rising valence electron concentration. Structural and bonding analyses showed that metal-metal bonding is often considered unfavorable for hardness, but in these Mn-N antiperovskites it contributes positively to the measured hardness. First-principles calculations were employed to elucidate this mechanism, leading us to propose a new interaction model describing the role of metal-metal bonding in strengthening ionic crystal frameworks. This study not only advances the theoretical understanding of hardness but also offers guidance for designing high-hardness materials.
Fields of Study & Subjects
Thermal Expansion and Ionic Conductivity
Advanced Battery Materials and Technologies
Advancements in Battery Materials
Publication details
- Journal / source
- Inorganic Chemistry
- Publisher
- American Chemical Society (ACS)
- Volume
- 65
- Issue
- 5
- Pages
- 2902–2911
- Publication date
- 23 January 2026
- Language
- EN