Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

  • R. Sahu
    Jawaharlal Nehru Centre for Advanced Scientific Research 1 International Centre for Materials Science, Chemistry and Physics of Materials Unit, , Bangalore 560064,
  • U. Bhat
    Jawaharlal Nehru Centre for Advanced Scientific Research 1 International Centre for Materials Science, Chemistry and Physics of Materials Unit, , Bangalore 560064,
  • N. M. Batra
    King Abdullah University of Science and Technology (KAUST) 2 Physical Science and Engineering Division, , Thuwal 23955-6900,
  • H. Sharona
    Jawaharlal Nehru Centre for Advanced Scientific Research 1 International Centre for Materials Science, Chemistry and Physics of Materials Unit, , Bangalore 560064,
  • B. Vishal
    Jawaharlal Nehru Centre for Advanced Scientific Research 1 International Centre for Materials Science, Chemistry and Physics of Materials Unit, , Bangalore 560064,
  • S. Sarkar
    Jawaharlal Nehru Centre for Advanced Scientific Research 3 New Chemistry Unit, , Bangalore 560064,
  • S. Assa Aravindh
    King Abdullah University of Science and Technology (KAUST) 2 Physical Science and Engineering Division, , Thuwal 23955-6900,
  • S. C. Peter
    Jawaharlal Nehru Centre for Advanced Scientific Research 3 New Chemistry Unit, , Bangalore 560064,
  • I. S. Roqan
    King Abdullah University of Science and Technology (KAUST) 2 Physical Science and Engineering Division, , Thuwal 23955-6900,
  • P. M. F. J. Costa
    King Abdullah University of Science and Technology (KAUST) 2 Physical Science and Engineering Division, , Thuwal 23955-6900,
  • R. Datta
    Jawaharlal Nehru Centre for Advanced Scientific Research 1 International Centre for Materials Science, Chemistry and Physics of Materials Unit, , Bangalore 560064,

書誌事項

公開日
2017-03-08
DOI
  • 10.1063/1.4977111
公開者
AIP Publishing

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説明

<jats:p>We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition cross over at ∼50 at. % of Mo and W in ReS2 in both monolayer and bulk form, respectively. Experimentally, two different types of structural modulations at 50% and a modulation corresponding to trimerization at 75% alloy composition are observed for RexMo1-xS2 and only one type of modulation is observed at the 50% RexW1-xS2 alloy system. The 50% alloy system is found to be a suitable monolithic candidate for metal semiconductor transition with minute external perturbation. ReS2 is known to be in the 2D Peierls distorted 1Td structure and forms a chain like superstructure. Incorporation of Mo and W atoms into the ReS2 lattice modifies the metal-metal hybridization between the cations and influences the structural modulation and electronic properties of the system. The results offer yet another effective way to tune the electronic structure and poly-type phases of this class of materials other than intercalation, strain, and vertical stacking arrangement.</jats:p>

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