期刊
NATURE COMMUNICATIONS
卷 5, 期 -, 页码 -出版社
NATURE RESEARCH
DOI: 10.1038/ncomms5475
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资金
- National Natural Science Foundation of China (NSFC) [11004244, 11274380]
- Ministry of Science and Technology (MOST) of China [2012CB932704]
- Beijing Natural Science Foundation (BNSF) [2112019]
- Basic Research Funds of Renmin University of China from the Central Government [12XNLJ03, 14XNH060, 14XNH062]
- Program for New Century Excellent Talents in Universities
Two-dimensional crystals are emerging materials for nanoelectronics. Development of the field requires candidate systems with both a high carrier mobility and, in contrast to graphene, a sufficiently large electronic bandgap. Here we present a detailed theoretical investigation of the atomic and electronic structure of few-layer black phosphorus (BP) to predict its electrical and optical properties. This system has a direct bandgap, tunable from 1.51 eV for a monolayer to 0.59 eV for a five-layer sample. We predict that the mobilities are hole-dominated, rather high and highly anisotropic. The monolayer is exceptional in having an extremely high hole mobility (of order 10,000 cm(2)V(-1)s(-1)) and anomalous elastic properties which reverse the anisotropy. Light absorption spectra indicate linear dichroism between perpendicular in-plane directions, which allows optical determination of the crystalline orientation and optical activation of the anisotropic transport properties. These results make few-layer BP a promising candidate for future electronics.
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