We report on atomic structures and energetics of 90°dislocation cores in Ge films on Si(001) substrates on the basis of the first-principles total-energy calculations. The dislocation core structure consisting of a row of pairs of five- and seven-membered Ge rings is proposed and found to be stable with increasing Ge overlayers. The scanning tunneling microscopy images of the 90°dislocation core structure are calculated and show the possibility to observe the proposed core structure.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - May 7 2010|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics