The atomic structures and energetics of 90° dislocation cores in Ge films on Si(001) substrates were elucidated 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 was proposed and found to be stable with increasing Ge overlayers. The scanning tunnelling microscopy images of the 90° dislocation core structure were calculated and showed the possibility to observe the proposed core structure

Atomic Structures and Energetics of 90° Dislocation Cores in Ge Films on Si(001). Y.Fujimoto, A.Oshiyama: Physical Review B, 2010, 81[20], 205309