CAJ | 학술논문

基于含时密度泛函理论，研究了硅烯量子点的等离激元激发.沿量子点所在的平面方向，体系中有两个主要的等离激元共振带.一个等离激元共振带位于2.0 eV附近，另一个等离激元共振带位于7.0 eV附近.由于离域化的π电子参与了两个等离激元共振带的激发，沿激发方向随着矩形硅烯量子点边长的增加，体系的两个等离激元共振带都发生红移.硅烯量子点的等离激元激发还依赖于边界的构型.此外，由于六角形硅烯量子点的对称性较高，沿量子点所在平面的不同方向激发时，体系的等离激元共振模式相同.
기우함시밀도범함이론，연구료규희양자점적등리격원격발.연양자점소재적평면방향，체계중유량개주요적등리격원공진대.일개등리격원공진대위우2.0 eV부근，령일개등리격원공진대위우7.0 eV부근.유우리역화적π전자삼여료량개등리격원공진대적격발，연격발방향수착구형규희양자점변장적증가，체계적량개등리격원공진대도발생홍이.규희양자점적등리격원격발환의뢰우변계적구형.차외，유우륙각형규희양자점적대칭성교고，연양자점소재평면적불동방향격발시，체계적등리격원공진모식상동.
Time-dependent density functional theory has been used to investigate the plasmon excitation processes in silicene quantum dots. Two main plasmon resonance bands were observed running parallel to the direction to the silicene quantum dot plane around 2.0 and 7.0 eV. Given that delocalized π electrons can participate in the excitation of the two plasmon resonance bands, an increase in the side length of the rectangular silicene quantum dots in the direction of the excitation led to the red-shifting of the two main plasmon resonance bands. Plasmon excitation in silicene quantum dots is also dependent on the edge configuration. Furthermore, because of the relatively high symmetry of the hexagonal silicene quantum dot, the plasmon resonance modes of the quantum dots were found to be identical along the different excitation directions running parallel to the quantum dot plane.