Peculiar Piezoelectric Properties of Soft Two-Dimensional Materials

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SEVİK C., Cakir D., GÜLSEREN O., Peeters F. M.

JOURNAL OF PHYSICAL CHEMISTRY C, vol.120, no.26, pp.13948-13953, 2016 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 120 Issue: 26
  • Publication Date: 2016
  • Doi Number: 10.1021/acs.jpcc.6b03543
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.13948-13953
  • Anadolu University Affiliated: Yes


Group II-VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric device applications. This motivated us to perform first principles calculations based on density functional theory to unveil the piezoelectric properties (i.e., piezoelectric stress (e(11)) and piezoelectric strain (d(11)) coefficients) of these monolayer materials with chemical formula MX (where M = Be, Mg, Ca, Sr, Ba, Zr, Cd and X = S, Se, Te). We found that these two-dimensional materials have peculiar piezoelectric properties with d(11) coefficients 1 order of magnitude larger than those of commercially utilized bulk materials. A clear trend in their piezoelectric properties emerges, which