Influence of Native Defects on the Electronic and Magnetic Properties of CVD Grown MoSe2 Single Layers

Antal A. Koós, Péter Vancsó, Márton Szendrö, Gergely Dobrik, David Antognini Silva, Zakhar I. Popov, Pavel B. Sorokin, Luc Henrard, Chanyong Hwang, László P. Biró, Levente Tapasztó

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Abstract

Despite their application potential, the structure of CVD grown MoSe2 single layers remained relatively unexplored. Here we report the rotationally aligned CVD growth of MoSe2 single layers on graphite. Such MoSe2 layers are characterized by grain boundary structures with significantly reduced disorder and display a much lower grain boundary density compared to samples grown by MBE. We show that the grain boundaries of CVD MoSe2 on graphite are predominantly mirror twin boundaries (MTBs) and distinguish two classes of such MTBs based on their orientation relative to the zigzag directions of the MoSe2 lattice. By combining atomic resolution scanning tunneling microscopy (STM) and spectroscopy measurements with DFT calculations, we demonstrate that the predominantly present MTBs running along zigzag directions only slightly perturb the electronic structure of the MoSe2 sheet. This enables the CVD growth of large-area MoSe2 layers with high structural and electronic quality. Atomic resolution STM investigations also revealed a high density (1012 cm-2) of native point defects identified as Mo vacancies. Our DFT calculations predict that Mo vacancies in MoSe2 are magnetic, and their magnetic moment can be efficiently controlled electrically by tuning the Fermi level position.

Original languageEnglish
Pages (from-to)24855-24864
Number of pages10
JournalJournal of Physical Chemistry C: Nanomaterials and interfaces
Volume123
Issue number40
DOIs
Publication statusPublished - 10 Oct 2019

Funding

The work has been supported by the NanoFab2D ERC Starting Grant, the H2020 Graphene Core2 project no. 785219, Graphene Flagship, and the Korea Hungary Joint Laboratory for Nanosciences. A.K. acknowledges the Janos Bolyai Research Fellowship of the Hungarian Academy of Sciences. P.V. acknowledges the Hungarian National Research, Development and Innovation Office (Hungary) Grant No. KH130413. This research used resources of the “Plateforme Technologique de Calcul Intensif (PTCI)”, which was supported by the F.R.S.-FNRS under Convention No. 2.5020.11. P.B.S. and Z.I.P. were supported by Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST “MISiS” (No. K2-2017-001). P.B.S. acknowledges the financial support of the Grant of President of Russian Federation for government support of young DSc. (MD-1046.2019.2).

FundersFunder number
Korea Hungary Joint Laboratory for Nanosciences
NanoFab2D ERC
Horizon 2020 Framework Programme680263, 785219
Fonds De La Recherche Scientifique - FNRS2.5020.11
Ministry of Education and Science of the Russian FederationK2-2017-001, MD-1046.2019.2
SZILARDTESTFIZIKAI ES OPTIKAI KUTATOINTEZETE - MAGYAR TUDOMANYOS AKADEMIA
Nemzeti Kutatási Fejlesztési és Innovációs HivatalKH130413

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