First-principles study of 2D/3D DJ-phase CsMnCl₄ perovskites: unveiling intrinsic half-metallic ferromagnetism, mechanical properties, strain and structural regulation mechanisms

Key Points

• Half-metallic ferromagnetism is demonstrated in CsMnCl₄ perovskites, with unique implications for spintronics.
• The study reveals significant mechanical properties, enhancing material performance in various applications.
• Assessment using first-principles calculations identifies key strain and structural regulation mechanisms.
• The findings support further exploration of 2D/3D perovskite structures for advanced material design.