We calculate the photodetachment cross sections of H- in a gradient electric field based on traditional quantum approach. The system provides a rare example that the formulas for the cross sections can be explicitly d...We calculate the photodetachment cross sections of H- in a gradient electric field based on traditional quantum approach. The system provides a rare example that the formulas for the cross sections can be explicitly derived by both the quantum approach and closed-orbit theory. The quantum results are compared with those of the closed-orbit theory. The correct phase values in the closed-orbit theory are essential and necessary to produce accurate cross sections. Our quantum results remove some previous ambiguities in assigning the phase values in the closed-orbit theory （G. C. Yang and M. L. Du 2007 Phys. Rev. A 75 029904E）.展开更多
Based on closed-orbit theory, the photodetachment of H- in a gradient electric field near a metal surface is studied. It is demonstrated that the gradient electric field has a significant influence on the photodetachm...Based on closed-orbit theory, the photodetachment of H- in a gradient electric field near a metal surface is studied. It is demonstrated that the gradient electric field has a significant influence on the photodetachment of negative ions near a metal surface. With the increase of the gradient of the electric field, the oscillation in the photodetachment cross section becomes strengthened. Besides, in contrast to the photodetachment of H- near a metal surface in a uniform electric field, the oscillating amplitude and the oscillating region in the cross section of a gradient electric field also become enlarged. Therefore, we can use the gradient electric field to control the photodetachment of negative ions near a metal surface. We hope that our results will be useful for understanding the photodetachment of negative ions in the vicinity of surfaces, cavities, and ion traps.展开更多
The La-dopping effect on the piezoelectricity in the K0.5Na0.5NbO3 （KNN） crystal with a tetragonal phase is investigated for the first time using the first-principle calculation based on density functional theory. T...The La-dopping effect on the piezoelectricity in the K0.5Na0.5NbO3 （KNN） crystal with a tetragonal phase is investigated for the first time using the first-principle calculation based on density functional theory. The full potentiallinearized augumented plane wave plus local orbitals （APW-LO） method and the supercell method are used in the calculation for the KNN crystal with and without the La doping. The results show that the piezoelectricity originates from the strong hybridization between the Nb atom and the O atom, and the substitution of the K or Na atom by the La impurity atom introduces the anisotropic relaxation and enhances the piezoelectricity at first and then restrains the hybridization of the Nb-O atoms when the La doping content further increases.展开更多
基金supported by the National Natural Science Foundation of China (Grant Nos. 10804066 and 11074260)the Natural Science Foundation of Shanxi Province of China (Grant No. 2009011004)
文摘We calculate the photodetachment cross sections of H- in a gradient electric field based on traditional quantum approach. The system provides a rare example that the formulas for the cross sections can be explicitly derived by both the quantum approach and closed-orbit theory. The quantum results are compared with those of the closed-orbit theory. The correct phase values in the closed-orbit theory are essential and necessary to produce accurate cross sections. Our quantum results remove some previous ambiguities in assigning the phase values in the closed-orbit theory （G. C. Yang and M. L. Du 2007 Phys. Rev. A 75 029904E）.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11074104 and 10604045)the Higher Education Science and Technology Program of Shandong Province, China (Grant No. J09LA02)the University Student's Science and Technology Innovation Fund of Ludong University, China (Grant No. 10g003)
文摘Based on closed-orbit theory, the photodetachment of H- in a gradient electric field near a metal surface is studied. It is demonstrated that the gradient electric field has a significant influence on the photodetachment of negative ions near a metal surface. With the increase of the gradient of the electric field, the oscillation in the photodetachment cross section becomes strengthened. Besides, in contrast to the photodetachment of H- near a metal surface in a uniform electric field, the oscillating amplitude and the oscillating region in the cross section of a gradient electric field also become enlarged. Therefore, we can use the gradient electric field to control the photodetachment of negative ions near a metal surface. We hope that our results will be useful for understanding the photodetachment of negative ions in the vicinity of surfaces, cavities, and ion traps.
基金supported by National Nature Science Foundation of China (No.11075110)
文摘The La-dopping effect on the piezoelectricity in the K0.5Na0.5NbO3 （KNN） crystal with a tetragonal phase is investigated for the first time using the first-principle calculation based on density functional theory. The full potentiallinearized augumented plane wave plus local orbitals （APW-LO） method and the supercell method are used in the calculation for the KNN crystal with and without the La doping. The results show that the piezoelectricity originates from the strong hybridization between the Nb atom and the O atom, and the substitution of the K or Na atom by the La impurity atom introduces the anisotropic relaxation and enhances the piezoelectricity at first and then restrains the hybridization of the Nb-O atoms when the La doping content further increases.
