Tuning spin polarization and spin transport of zigzag graphene nanoribbons by line defects

Literature Information

Publication Date 2014-10-28
DOI 10.1039/C4CP03837A
Impact Factor 3.676
Authors

G. P. Tang, Z. H. Zhang, X. Q. Deng, Z. Q. Fan, H. L. Zhu


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Abstract

From first-principles methods, the spin-dependent electronic properties of zigzag-edged graphene nanoribbons (ZGNRs) with a line defect (558-defect) are investigated systematically and compared to those of the pristine ZGNR. Results show that the line defect possesses an obvious tuning effect on the spin-polarization of the edge carbon atoms of the defective ZGNRs, and the spin-polarization and spin-transport are sensitive to the position of line defects. The defective ZGNRs can realize a transition from antiferromagnetism (AFM) to ferrimagnetism and ferromagnetism (FM) via changing the position of line defects from the center to the zigzag edge of ZGNRs. More importantly, when the line defect is located at the one edge, the defective ZGNRs exhibit the long-range magnetic ordering at edges with a high Curie temperature up to 276 K, and the defective ZGNR system can generate a high-performance spin-filter effect in the large bias range, 0.0–0.5 V. Such a sensitive modulation for the spin-polarization and spin-transport holds great promise for applications of the graphene-based systems in nano-scale spintronic devices.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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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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