Tensile strain induced half-metallicity in graphene-like carbon nitride

Literature Information

Publication Date 2015-01-26
DOI 10.1039/C4CP05560H
Impact Factor 3.676
Authors

Haiquan Hu, Chunjiang Bao, Juan Hua, Hongcai Zhou, Xiaobiao Liu, Xiangdong Liu, Mingwen Zhao


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Abstract

Polymeric graphitic carbon nitride materials exhibit exotic properties superior to graphene which are promising for applications in energy conversion, environment protection, and spintronics devices. We propose a two-dimensional (2D) framework of graphene-like carbon nitride composing of C9N7 units connected by nitrogen atoms. From first-principles, we demonstrate that this 2D carbon nitride has a spin-polarized ground state and exhibits metallic electronic properties, in contrast to commonly studied graphitic carbon nitrides which are nonmagnetic semiconductors. Additionally, half-metallicity can be achieved in this framework by applying tensile strain. The realization will be beneficial for spintronics as a candidate material for a spin-current generator. More importantly, this provides a feasible way to realize half-metallicity in experiments.

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Cover

DOI: 10.1039/C7CP90120H

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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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