Two-dimensional C12Mn2/C12Cr2 as a room-temperature half metal/antiferromagnetic semiconductor: a systematic study

Abstract

Ferromagnetism in half-metallic two-dimensional (2D) materials can lead to unique spintronics applications. In this paper, we report first-principle calculations that predict 2D single-layer C₁₂Mn₂ as a ferromagnetic half metal, and 2D single-layer C₁₂Cr₂ as an antiferromagnetic semiconductor. A systematic study is carried out to demonstrate the reliability of our research. We employ a bottom-up method to investigate the structural and magnetic stability of single, two and more Cr or Mn atoms on graphyne at room temperature. The very high Curie/Néel temperatures of 2D C₁₂Mn₂/C₁₂Cr₂, respectively, indicate the stability of room-temperature ferromagnetism/antiferromagnetism. With perfect spin filtering, 2D C₁₂Mn₂ would be a promising material for future spintronics design.