期刊
2D MATERIALS
卷 3, 期 2, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/2053-1583/3/2/025031
关键词
first-principles calculations; density functional theory; electron-phonon coupling; ARPES; superconductivity
资金
- European Community [312284]
- ERC [648589 SUPER-2D]
- Quantum Matter and Materials
- DFG [GR 3708-2/1]
- EU-Japan [283204]
- Supercomputing center Cineca (Bologna, Italy) through ISCRA projects
- Saint Petersburg State University [15.61.202.2015]
First principles calculations demonstrate the metallization of phosphorene by means of Li doping filling the unoccupied antibonding p(z) states. The electron-phonon coupling in the metallic phase is strong enough to eventually lead to a superconducting phase at T-c = 17 K for LiP8 stoichiometry. Using angle-resolved photoemission spectroscopy we confirm that the surface of black phosphorus can be chemically functionalized using Li atoms which donate their 2s electron to the conduction band. The combined theoretical and experimental study demonstrates the semiconductor-metal transition indicating a feasible way to induce a superconducting phase in phosphorene and few-layer black phosphorus.
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