4.5 Article

Shallow donor in natural MoS2

Journal

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
Volume 9, Issue 12, Pages 707-710

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssr.201510297

Keywords

MoS2; rhenium; shallow donors; valley-orbit splitting; electron paramagnetic resonance; density functional theory

Funding

  1. Linkoping Linnaeus Initiative for Novel Functional Materials (LiLi-NFM)
  2. Korea Evaluation Institute of Industrial Technology (KEIT) - Ministry of Trade, Industry and Energy (MOTIE) [10050296]
  3. Korea Evaluation Institute of Industrial Technology (KEIT) [10050296] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)

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Using electron paramagnetic resonance and density functional theory calculations, we show that the shallow donor responsible for the n-type conductivity in natural MoS2 is rhenium (Re) with a typical concentration in the low 10(17) cm(-3) range and the g-values: g(parallel to) = 2.0274 and g(perpendicular to) = 2.2642. In bulk MoS2, the valley-orbit (VO) splitting and ionization energy of the Re shallow donor are determined to be similar to 3 meV and similar to 27 meV, respectively. Calculations show that the VO splitting of Re approaches the value in bulk if the number of MoS2 layers is larger than four and increases to 97.9 meV in a monolayer. (c) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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