Tuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành hóa học dành cho các bạn yêu hóa học tham khảo đề tài: Fine Splitting of Electron States in Silicon Nanocrystal with a Hydrogen-like Shallow Donor | Nanoscale Res Lett 2007 2 569-575 DOI S11671-007-9101-5 NANO EXPRESS Fine Splitting of Electron States in Silicon Nanocrystal with a Hydrogen-like Shallow Donor Vladimir A. Belyakov Vladimir A. Burdov Received 7 July 2007 Accepted 16 October 2007 Published online 2 November 2007 to the authors 2007 Abstract Electron structure of a silicon quantum dot doped with a shallow hydrogen-like donor has been calculated for the electron states above the optical gap. Within the framework of the envelope-function approach we have calculated the fine splitting of the ground sixfold degenerate electron state as a function of the donor position inside the quantum dot. Also dependence of the wave functions and energies on the dot size was obtained. Keywords Silicon nanocrystal Donor Energy spectrum Fine splitting Introduction Introduction of shallow impurities into silicon quantum dots is considered 1-5 as an efficient way to modify optical properties of the dots. In connection to this calculations of electronic structure 6-11 and dielectric function 12-18 of silicon nanocrystals doped with V-group shallow donors have been carried out earlier. The microscopic first-principles study of charge distribution and electrostatic fields in bulk silicon 19-21 and silicon crystallites 16-18 in the presence of V-group donors have shown existence of short-range and long-range components of the electron-ion Coulomb interaction in the system. The short-range potential differs from zero only in a nearest vicinity about Bohr radius of the donor nucleus. This extra potential frequently named a V. A. Belyakov El V. A. Burdov Department of Theoretical Physics University of Nizhniy Novgorod Nizhniy Novgorod 603950 Russia e-mail vab3691@ central-cell correction leads to so-called valley-orbit interaction 22 23 . In turn the valley-orbit interaction causes the splitting of the electron ground state that is sixfold degenerate if the spin variables have not been taken into account. The .
