Evolution of nanometric structures under irradiation studied by a time-dependent

2020-03-01 13:03:17

clusters atomic irradiation dependent Hartree

责任者: Morandi, V.;Mazzone, A.M. 单位: CNR-IMM, Bologna, Italy 来源出处: Computational Materials Science(Comput. Mater. Sci. (Netherlands)),2005/04/,33(1-3):351-5 摘要: This study is motivated by recent applications of laser and electron irradiation to manipulate structures on the atomic scale and a time-dependent Hartree-Fock simulation method with a semi-empirical Hamiltonian is applied to the description of the transient ensuing the energy input. Small silicon clusters and organic molecules are used as showcase examples. The validity of the approach is discussed in the light of experiments and of other calculations. [All rights reserved Elsevier] 关键词: atomic clusters;electron beam effects;HF calculations;laser beam effects;nanostructured materials;organic compounds;silicon;nanometric structures;time-dependent Hartree-Fock method;laser irradiation;electron irradiation;atomic scale structure manipulation;semi-empirical Hamiltonian;silicon clusters;organic molecules;Si