Research on the propagation of elastic waves in piezoelectric nanostructures is very limited. The frequency dispersion of Love waves in layered piezoelectric nanostructures has not yet been reported when surface effec...Research on the propagation of elastic waves in piezoelectric nanostructures is very limited. The frequency dispersion of Love waves in layered piezoelectric nanostructures has not yet been reported when surface effects are taken into account. Based on the surface elasticity theory, the propagation of Love waves with surface effects in a structure consisting of a nanosized piezoelectric film and a semi-infinite elastic substrate is investigated focusing on the frequency dispersion curves of different modes. The results show that under the electrically-open conditions, surface effects give rise to the dependence of Love wave dispersion on the film thickness when the thickness of the piezoelectric film reduces to nanometers. For a given wave frequency, phase velocity of Love waves in all dispersion modes exhibit obvious toward shift as the film thickness decreases or the surface parameters increase. Moreover, there may exist a cut-off frequency in the first mode dispersion below which Love waves will be evanescent in the structure due to surface effects. The cut-off frequency depends on the film thickness, the surface parameters and the bulk material properties.展开更多
The first hyperpolarizabilities of four squaric acid homologues: squaric acid, 1, 2-dithiosquaric acid, 1, 2-diselenosquaric acid and 1,2-ditellurosquaric acid have been calculated using ab initio and DFT methods. The...The first hyperpolarizabilities of four squaric acid homologues: squaric acid, 1, 2-dithiosquaric acid, 1, 2-diselenosquaric acid and 1,2-ditellurosquaric acid have been calculated using ab initio and DFT methods. The effects of equilibrium geometries. basis set and electron correlation on the first hyperpolarizabilities of these molecules were investigated. The frequency dispersion effect and solvent effect, which are essential to get reliable outputs in comparison to the experimental results, have also been explored. On the basis of these investigations, it is worthy to point out that the heavy atom effect takes effect for these squaric acid homologues.展开更多
基金Supported by National Natural Science Foundation of China(Grant No.11372261)Excellent Young Scientists Supporting Project of Science and Technology Department of Sichuan Province,China(Grant No.2013JQ0030)+4 种基金Supporting Project of Department of Education of Sichuan Province,China(Grant No.2014zd3132)Opening Project of Key Laboratory of Testing Technology for Manufacturing ProcessSouthwest University of Science and Technology-Ministry of Education,China(Grant No.12zxzk02)Fund of Doctoral Research of Southwest University of Science and Technology,China(Grant No.12zx7106)Postgraduate Innovation Fund of Southwest University of Science and Technology,China(Grant No.15ycx128)
文摘Research on the propagation of elastic waves in piezoelectric nanostructures is very limited. The frequency dispersion of Love waves in layered piezoelectric nanostructures has not yet been reported when surface effects are taken into account. Based on the surface elasticity theory, the propagation of Love waves with surface effects in a structure consisting of a nanosized piezoelectric film and a semi-infinite elastic substrate is investigated focusing on the frequency dispersion curves of different modes. The results show that under the electrically-open conditions, surface effects give rise to the dependence of Love wave dispersion on the film thickness when the thickness of the piezoelectric film reduces to nanometers. For a given wave frequency, phase velocity of Love waves in all dispersion modes exhibit obvious toward shift as the film thickness decreases or the surface parameters increase. Moreover, there may exist a cut-off frequency in the first mode dispersion below which Love waves will be evanescent in the structure due to surface effects. The cut-off frequency depends on the film thickness, the surface parameters and the bulk material properties.
文摘The first hyperpolarizabilities of four squaric acid homologues: squaric acid, 1, 2-dithiosquaric acid, 1, 2-diselenosquaric acid and 1,2-ditellurosquaric acid have been calculated using ab initio and DFT methods. The effects of equilibrium geometries. basis set and electron correlation on the first hyperpolarizabilities of these molecules were investigated. The frequency dispersion effect and solvent effect, which are essential to get reliable outputs in comparison to the experimental results, have also been explored. On the basis of these investigations, it is worthy to point out that the heavy atom effect takes effect for these squaric acid homologues.
