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Article Dans Une Revue Computational Materials Science Année : 2016

Trigonal BiPO4: A potential piezoelectric for low-temperatures

Résumé

Density functional theory is used to estimate the e11 and d11 piezoelectric elements in the trigonal form of BiPO4. The calculated values, e11 = -1.46 C/m2 and d11 = -22.84 pC/N at 0 K, are significantly higher than those predicted in a-quartz-type materials but require experimental confirmation. The polar E-modes below 100 cm-1 are at the origin of the piezoelectric efficiency.
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Dates et versions

hal-01289376 , version 1 (16-03-2016)

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Patrick Hermet. Trigonal BiPO4: A potential piezoelectric for low-temperatures. Computational Materials Science, 2016, 118, pp.1-3. ⟨10.1016/j.commatsci.2016.03.007⟩. ⟨hal-01289376⟩
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