Two-dimensional C12Mn2/C12Cr2 as a room-temperature half metal/antiferromagnetic semiconductor: a systematic study
Literature Information
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.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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