Magnetic semiconducting borophenes and their derivatives

Literature Information

Publication Date 2023-11-01
DOI 10.1039/D3CP04069K
Impact Factor 3.676
Authors

Bo Chen, Lin Xue, Yan Han, Zhi Yang, Yong-Jia Zhang


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Abstract

Two semiconducting borophenes with layer-dependent magnetism are predicted based on spin-polarized density functional theory. Both monolayer borophenes are ferromagnetic. One is composed of B3 and B15 triangular motifs, exhibiting bipolar spin polarization and a magnetic moment of 1.00 μB per primitive cell. The other consists of B15 triangular motifs, possessing a Curie temperature of about 437 K and a magnetic moment of 3.00 μB per primitive cell. B atoms located between the triangular motifs are essential for inducing ferromagnetism in monolayer borophenes. However, bilayer borophenes with high-symmetry stacking orders are nonmagnetic. Furthermore, magnetic boron nanotubes and fullerenes could be made of monolayer borophenes. Finally, we propose to fabricate these magnetic semiconducting borophenes from the buckled triangular structure of borophenes via selective electron beam ionization of B atoms by scanning transmission electron microscopy.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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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