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| Creator | Title | Description | Subject | Date | ||
|---|---|---|---|---|---|---|
| 1 |
 | Liu, Feng | Electronic and elastic properties of edge dislocations in Si | Ab initio, tight-binding, and classical calculations have been done for (a/2)( 110) edge dislocation dipoles in Si at separations of 7.5-22.9 A in unit cells comprising 32-288 atoms. These calculations show states associated with the cores relatively deep in the band gap (~ 0.2 eV) despite the abse... | Edge dislocations | 1995-06 |
| 2 |
 | Liu, Feng | First-principles study of impurity segregation in edge dislocations in Si | Using ab initio calculations, the segregation of As, Ga, and Ge atoms in the core regions of perfect edge dislocations in Si is examined. When all nearest neighbors of an impurity are Si atoms, As favors the core site at maximum compression and has a segregation energy of 0.25 eV/atom. Ga and Ge im... | First-principles; Impurity segregation; Edge dislocations | 2000-01 |
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