Confinement of massless Dirac fermions in the graphene matrix induced by the B/N heteroatoms

Literature Information

Publication Date 2015-01-09
DOI 10.1039/C4CP05193A
Impact Factor 3.676
Authors

Weitao Zheng, Sean Li


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Abstract

In this work, the systems are constructed with the defect lines of B–B or N–N dimers embedded in a graphene matrix using density functional theory. It is found that the Dirac-cone dispersions appear at the Fermi level in the bands introduced by the B or N heteroatom, linear B–B or N–N dimers, demonstrating that the carrier mobility is ∼106 m s−1 which is comparable with that of the pristine graphene. Most importantly, such dimer lines act as the quasi-1-D conducting nanowires whose charge carriers are confined around the linear defects in these dimers while the charge carriers in pristine graphene are dispersed two-dimensionally. Such systems suggest that heteroatoms in graphene can indeed contribute to the Dirac cone. In addition, the type of carriers (p-type or n-type) can be manipulated using the B or N heteroatoms, respectively. This will greatly enrich the electronic properties of Dirac semimetals.

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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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