Piezoelectric Response of α-Form Poly(L-Lactic Acid) to Mechanically Stressed State
DOI:
https://doi.org/10.15407/ujpe70.2.109Keywords:
piezoelectric effects, polymer (L-lactic acid), compression, bending, twisting, density functional theory, first-principle calculationsAbstract
Here, the piezoelectric effects in a polymer (L-lactic acid) under a mechanical action are studied by methods of the density functional theory and first-principles pseudopotential based on own program code. The spatial distributions of the valence electron density, electronic state density, Coulomb potentials in different directions of the PLLA polymer fragment and charge states of its individual atoms are calculated. It is found that only one fragment of the polymer chain allows us to determine the nature of the charge polarization of valence electrons and ions under a mechanical deformation.
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