Journal
PHYSICAL REVIEW B
Volume 98, Issue 15, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.98.155443
Keywords
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Funding
- National Natural Science Foundation of China [21222304, 21573201]
- Ministry of Science and Technology of China [2016YFA0200604]
- CUSF
- USTC-SCC, SCCAS, Tianjin
- Shanghai Supercomputer Centers
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The electron-phonon (e-ph) interaction in Ca2N monolayer, the first electrene material with two-dimensional (2D) electron gas floating in free space, is expected to be very weak, which can be used to design weak-scattering transport channels. Therefore, it is highly desirable to quantitatively evaluate the carrier mobility of this electrene material. In this study, the e-ph interaction in Ca2N monolayer is investigated by using a precise Wannier interpolation-based first-principles technique. The calculated e-ph coupling matrix elements of Ca2N monolayer are indeed small compared with other 2D materials such as graphene, which leads to an intrinsic mobility of 189 cm(2) V-1 s(-1), which is much higher than those of conventional metals. Other factors affecting mobility are discussed in a comparison with graphene. It is predicted that, based on a momentum mismatch mechanism, mobility of the Ca2N monolayer can be increased further to above 3000 cm(2) V-1 s(-1) via hole doping. Our results confirm that Ca2N electrene is a promising electronic material.
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