Defect-Enabled Phase Programming of Transition Metal Dichalcogenide Monolayers

Yang Xia, Joel Berry, Mikko P. Haataja

Research output: Contribution to journalArticlepeer-review

6 Scopus citations


The ability to tune the local electronic transport properties of group VI transition metal dichalcogenide (TMD) monolayers by strain-induced structural phase transformations ("phase programming") has stimulated much interest in the potential applications of such layers as ultrathin programmable and dynamically switchable nanoelectronics components. In this manuscript, we propose a new approach toward controlling TMD monolayer phases by employing macroscopic in-plane strains to amplify heterogeneous strains arising from tailored, spatially extended defects within the monolayer. The efficacy of our proposed approach is demonstrated via numerical simulations of emerging domains localized around arrays of holes, grain boundaries, and compositional heterointerfaces. Quantitative relations between the macroscopic strains required, spatial resolution of domain patterns, and defect configurations are developed. In particular, the introduction of arrays of holes is identified as the most feasible phase programming route.

Original languageEnglish (US)
Pages (from-to)4676-4683
Number of pages8
JournalNano Letters
Issue number11
StatePublished - Jun 9 2021

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • Condensed Matter Physics
  • Mechanical Engineering
  • Bioengineering
  • General Materials Science


  • 2D materials
  • defects
  • phase engineering
  • strain engineering
  • transition metal dichalcogenides


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