Piezoelectric Properties of AlN, ZnO, and HgxZn1-xO Nanowires by First-Principles Calculations - Archive ouverte HAL Access content directly
Journal Articles Journal of Physical Chemistry C Year : 2009

Piezoelectric Properties of AlN, ZnO, and HgxZn1-xO Nanowires by First-Principles Calculations

Abstract

The piezoelectric constants of aluminum nitride and zinc oxide wurtzite-type nanowires have been calculated by first-principles approach and compared with the data obtained for bulk structures. The methods adopted here include the Hartree-Fock and density functional theory procedures in their periodic formulation. The piezoelectric response is seen to be higher in nanowires than in bulk. In zinc oxide wires, it is found that the piezoelectric constant is significantly enhanced by partial substitution of zinc by mercury.
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hal-00712848 , version 1 (28-06-2012)

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Alexander Mitrushchenkov, Roberto Linguerri, Gilberte Chambaud. Piezoelectric Properties of AlN, ZnO, and HgxZn1-xO Nanowires by First-Principles Calculations. Journal of Physical Chemistry C, 2009, 113 (17), pp.6883-6886. ⟨10.1021/jp9007015⟩. ⟨hal-00712848⟩
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