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• W2023930594 abstract "The dissociation of $60ifmmode^circelsetextdegreefi{}$ and screw dislocations in diamond is modeled in an approach combining isotropic elasticity theory with ab initio--based tight-binding total-energy calculations. Both dislocations are found to dissociate with a substantial lowering of their line energies. For the $60ifmmode^circelsetextdegreefi{}$ dislocation, however, an energy barrier to dissociation is found. We investigate the core structure of a screw dislocation distinguishing ``shuffle,'' ``mixed,'' and ``glide'' cores. The latter is found to be the most stable undissociated screw dislocation. Further, the glide motion of $90ifmmode^circelsetextdegreefi{}$ and $30ifmmode^circelsetextdegreefi{}$ partials is discussed in terms of a process involving the thermal formation and subsequent migration of kinks along the dislocation line. The calculated activation barriers to dislocation motion show that the $30ifmmode^circelsetextdegreefi{}$ partial is less mobile than the $90ifmmode^circelsetextdegreefi{}$ partial. Finally, high-resolution electron microscopy is performed on high-temperature, high-pressure annealed natural brown diamond, allowing the core regions of $60ifmmode^circelsetextdegreefi{}$ dislocations to be imaged. The majority of dislocations are found to be dissociated. However, in some cases, undissociated $60ifmmode^circelsetextdegreefi{}$ dislocations were also observed." @default.
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• W2023930594 date "2003-07-30" @default.
• W2023930594 modified "2023-10-14" @default.
• W2023930594 title "Dislocations in diamond: Dissociation into partials and their glide motion" @default.
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• W2023930594 doi "https://doi.org/10.1103/physrevb.68.014115" @default.
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