Based on the general theory of dislocation and kink, we have constructed the three kink models corresponding to the 1/2 （111）{011} and 1/2 （111）{112} edge dislocations （EDs） in bcc Fe using the molecular dynamic...Based on the general theory of dislocation and kink, we have constructed the three kink models corresponding to the 1/2 （111）{011} and 1/2 （111）{112} edge dislocations （EDs） in bcc Fe using the molecular dynamics method. We found that the geometric structure of a kink depends on the type of ED and the structural energies of the atom sites in the dislocation core region, as well as the geometric symmetry of the dislocation core and the characteristic of the stacking sequence of atomic plane along the dislocation line. The formation energies and widths of the kinks on the 1/2 （111）{011} and 1/2 （111）{112} EDs are calculated, the formation energies are 0.05eV and 0.04eV, and widths are 6.02b and 6.51b, respectively （b is the magnitude of the Burgers vector）. The small formation energies indicate that the formation of kink in the edge dislocation is very easy in bcc Fe.展开更多
We study the relation between renormalization of the chemical potential due to multiphonon effects at the surface of Be（0001） and doping by solving the strong-coupling self-consistent equations of a two-dimensional...We study the relation between renormalization of the chemical potential due to multiphonon effects at the surface of Be（0001） and doping by solving the strong-coupling self-consistent equations of a two-dimensional（2D） electron-phonon interaction system.We present the quasiparticle dispersions and inverse lifetimes of a 2D electron system interacting with Einstein phonons under the different dopings（corresponding to chemical potentials）.We find that the effect of electron-phonon interaction on electron structure is strongest at the half filling,but it has no effect on the chemical potential.However,the chemical potential shows distinct renormalization effects away from half filling due to the electron-phonon interaction.展开更多
基金Project supported by the National Basic Research Program of China (Grant No 2006CB605102)the Science Foundation of Central South University of Forestry & Technology,China (Grant No 06y016)
文摘Based on the general theory of dislocation and kink, we have constructed the three kink models corresponding to the 1/2 （111）{011} and 1/2 （111）{112} edge dislocations （EDs） in bcc Fe using the molecular dynamics method. We found that the geometric structure of a kink depends on the type of ED and the structural energies of the atom sites in the dislocation core region, as well as the geometric symmetry of the dislocation core and the characteristic of the stacking sequence of atomic plane along the dislocation line. The formation energies and widths of the kinks on the 1/2 （111）{011} and 1/2 （111）{112} EDs are calculated, the formation energies are 0.05eV and 0.04eV, and widths are 6.02b and 6.51b, respectively （b is the magnitude of the Burgers vector）. The small formation energies indicate that the formation of kink in the edge dislocation is very easy in bcc Fe.
基金Project supported by the National Natural Science Foundation of China (Grant No. 10574063)
文摘We study the relation between renormalization of the chemical potential due to multiphonon effects at the surface of Be（0001） and doping by solving the strong-coupling self-consistent equations of a two-dimensional（2D） electron-phonon interaction system.We present the quasiparticle dispersions and inverse lifetimes of a 2D electron system interacting with Einstein phonons under the different dopings（corresponding to chemical potentials）.We find that the effect of electron-phonon interaction on electron structure is strongest at the half filling,but it has no effect on the chemical potential.However,the chemical potential shows distinct renormalization effects away from half filling due to the electron-phonon interaction.
