Spin caloritronics of blue phosphorene nanoribbons
文献信息
Y. S. Liu, X. Zhang, X. F. Yang, X. K. Hong, J. F. Feng, M. S. Si, X. F. Wang
We report a first-principles study of the magnetic properties and spin caloritronics of zigzag-type blue phosphorene nanoribbons (zBPNRs). It is found that the bare zBPNR (0H-zBPNR) or monohydrogenated zBPNR (1H-zBPNR) exhibit spin-semiconducting properties arising from the edge electronic states. We further confirm that the py orbitals of the edge P atoms have the main contributions to these states. The spin-semiconducting property has a natural advantage for fabricating perfect thermospin devices with a stronger spin Seebeck effect than charge Seebeck effect at the Fermi level. When a temperature difference is applied, the electric current with the different spin index displays a bipolar behavior, and the spin-filtering efficiency can reach 1200%. By changing the widths of 0H-zBPNR and 1H-zBPNR, the ratio of the spin Seebeck coefficient to the charge Seebeck coefficient at the Fermi level is about 10 at room temperature.
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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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