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Article Dans Une Revue Journal of Physical Chemistry C Année : 2015

Piezoelectric Response in α‑Quartz-Type GeO2

Résumé

Density functional perturbation theory is used to study the mechanism of the piezoelectric response in α-GeO2 and to estimate its magnitude. To date, its piezoelectric-stress elements have never been calculated using this level of theory nor measured on a high-quality water-free single crystal. Our calculations predict that the value of e11 piezoelectric-stress is about 50% higher than in α-quartz. This enhancement is due to larger tetrahedra distortions and/or a lower frequency of the dominant polar E-mode. In contrast to α-quartz, α-GeO2 has also a sizable e14 value that reaches 0.169 C/m2.
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Dates et versions

hal-01274668 , version 1 (16-02-2016)

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Patrick Hermet. Piezoelectric Response in α‑Quartz-Type GeO2. Journal of Physical Chemistry C, 2015, 120, pp.126−132. ⟨10.1021/acs.jpcc.5b10843⟩. ⟨hal-01274668⟩
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