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The simulations of field-evaporation processes for silicon atoms on variousSi(001) surfaces are implemented using the first-principles calculations basedon the real-space finite-difference method. We find that the atoms which locateon atomically flat Si(001) surfaces and at step edges are easily removed byapplying external electric field, and the threshold value of the externalelectric field for evaporation of atoms on atomically flat Si(001) surfaces,which is predicted between 3.0 and 3.5 V/\AA, is in agreement with theexperimental data of 3.8 V/\AA. In this situation, the local field around anevaporating atom does not play a crucial role. This result is insteadinterpreted in terms of the bond strength between an evaporating atom andsurface.Comment: 5 pages and 4 figure

First-principles study on field evaporation for silicon atom on Si(001) surface