TY  - EJOU
AU  - Lin, Karin  
AU  - Chrzan, D. C.  

TI  - The Core Structure and Energy of the 90° Partial Dislocation in Si
T2  - Computer Modeling in Engineering \& Sciences

PY  - 2002
VL  - 3
IS  - 2
SN  - 1526-1506

AB  - The 90° partial dislocation in Si is studied using a combination of Tersoff potentials and isotropic elasticity theory. Both periodic supercells and cylindrical cells are employed and the results compared. The dislocation core radius is extracted by fitting the results of atomic scale calculations to an expression for the elastic energy of the dislocation. The energy differences between two proposed reconstructions of the dislocation core are computed and found to depend systematically on the stress field imposed on the dislocation. It is suggested that hydrostatic stresses may introduce a core transformation.
KW  - Dislocation cores
KW  -  dislocations in Si

DO  - 10.3970/cmes.2002.003.201