A tight-binding study of LUMO states in ellipsoidal silicon nanocrystals

2020-02-14 23:14:30

structure silicon binding states tight

责任者: Trani, F.;Cantele, G.;Ninno, D.;Iadonisi, G. 单位: Dipt. di Sci. Fisiche, Univ. di Napoli Federico II, Italy 来源出处: Physica E(Physica E (Netherlands)),2004/05/,22(4):808-14 摘要: In this paper, we report on tight-binding calculations of lowest unoccupied molecular orbitals states for silicon ellipsoidal nanocrystals. The electronic structure has been calculated for different nanocrystal shapes either keeping constant or varying the number of silicon atoms. We have found that changing the ellipsoid aspect ratio a non-obvious energy level structure is obtained. The implications for the infrared optical transitions and their relationship with the polarization of the radiation involved are discussed 关键词: band structure;elemental semiconductors;ground states;nanostructured materials;silicon;tight-binding calculations;ellipsoidal silicon nanocrystals;tight-binding calculations;electronic structure;energy level structure;infrared optical transitions;polarization;lowest unoccupied molecular orbitals states;Si