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First-principles and angle-resolved photoemission study of lithium doped metallic black phosphorous

Authors/others:Sanna, A. (Max-Planck-Institut für Mikrostrukturphysik) Fedorov, A. V. (Universität zu Köln) Verbitskiy, N. I. (Universität zu Köln) Fink, J. (IFW Dresden, Institute for Integrative Nanosciences (IIN)) Krellner, C. (Johann Wolfgang Goethe-Universität Frankfurt am Main) Petaccia, L. (Elettra Sincrotrone Trieste) Chikina, A. (Saint Petersburg State University) Usachov, D. Yu (Saint Petersburg State University) Grueneis, A. (Universität zu Köln) Profeta, G. (Universita degli Studi dell Aquila)
Abstract: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.
Number of pages:6
Date of publication:6.2016
Journal title:2D Materials
Digital Object Identifier (DOI):https://doi.org/10.1088/2053-1583/3/2/025031
Publication Type:Article
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