Journal
PHYSICAL REVIEW B
Volume 92, Issue 11, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.92.115431
Keywords
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Funding
- Korea Evaluation Institute of Industrial Technology - Ministry of Trade, Industry, and Energy [10050296]
- KISTI [KSC-2014-C3-041]
- National Research Foundation of Korea (NRF) - Korean government (MSIP) [2015R1A2A2A01005564]
- Korea Evaluation Institute of Industrial Technology (KEIT) [10050296] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
- National Research Council of Science & Technology (NST), Republic of Korea [K15018] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
- National Research Foundation of Korea [2015R1A2A2A01005564] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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We investigate the effects of dielectric environments on the transition levels of Re and Nb dopants in monolayer MoS2 through density functional theory calculations. The inherently weakly screened Coulomb interaction in free-standing monolayer MoS2 makes the dopant electrons and holes strongly bound, and the Re and Nb impurities are found to produce deep levels. It is shown that when the monolayer MoS2 is placed near high permittivity dielectrics the screened Coulomb interaction induces carrier delocalization with generating shallow levels.
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