Half-metallic YN2 monolayer: dual spin filtering, dual spin diode and spin Seebeck effects
Literature Information
Jie Li, Guoying Gao, Yi Min, Kailun Yao
Most of the pristine graphene-like two-dimensional materials have been found to be non-magnetic, and the emergence of magnetism usually needs an external electric field, substrate, strain, vacancy, or doping, which is not easily controlled in an experiment, limiting the potential applications in spintronics. Very recently, layered transition-metal dinitrides were explored experimentally and theoretically, and a pristine YN2 monolayer was predicted to be a half-metallic ferromagnet with a graphene-like structure. To demonstrate the possible spintronic applications, herein, we designed spintronic devices based on the half-metallic YN2 monolayer, and found perfect dual spin filtering and dual spin diode effects when a bias voltage was applied. Moreover, the devices also exhibited excellent spin Seebeck effects under a temperature gradient, which make the YN2 monolayer a promising candidate for both spintronic and spin caloritronic applications. These peculiar spin transport properties were analyzed and explained from the calculated spin-resolved band structure and transmission spectrum based on first-principles combined with the non-equilibrium Green's function method.
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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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