Theoretical study of kinks on screw dislocation in silicon
نویسندگان
چکیده
منابع مشابه
Theoretical study of kinks on screw dislocation in silicon
Theoretical calculations of the structure, formation and migration of kinks on a non-dissociated screw dislocation in silicon have been carried out using density functional theory calculations as well as calculations based on interatomic potential functions. The results show that the structure of a single kink is characterized by a narrow core and highly stretched bonds between some of the atom...
متن کاملKinks in the a/2〈111〉 screw dislocation in Ta
We study the structure and formation energy of kinks in the 1/2a〈111〉 screw dislocations in metallic Tantalum (Ta) using molecular dynamics with a first principles based many-body interatomic potential. In our study, four a/3〈112〉 kinks are constructed in a quadrupole arrangement in the simulation cell. To the simulation cell, we impose periodic boundary conditions in the directions perpendicul...
متن کاملAtomistic Simulation of kinks for 1/2a<111> Screw Dislocation in Ta
Structure, formation energy and mobility of kinks in 1/2a<111> screw dislocation in metallic Ta have been investigated via low temperature (0.001K) molecular dynamics with a new, first principle based, Embedded-Atom-Model (EAM) potential. We studied a/3<112> kinks using a simulation cell containing four dislocations in a quadrupolar arrangement. We impose periodic boundary conditions in the dir...
متن کاملStructure, Barriers, and Relaxation Mechanisms of Kinks in the 90 Partial Dislocation in Silicon
R. W. Nunes, J. Bennetto, and David Vanderbilt Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08855-0849 (Received 18 April 1996) Kink defects in the 90± partial dislocation in silicon are studied using a linear-scaling density-matrix technique. The asymmetric core reconstruction plays a crucial role, generating at least four distinct kink species as well as sol...
متن کاملObservation of Moving Dislocation Kinks and Unpinning.
Atomic resolution electron microscopy has been used to obtain images of moving dislocation kinks on partial dislocations at 600 ±C in silicon. Video difference images are used to obtain direct estimates of kink velocity. Observations of kink delay at obstacles, thought to be oxygen atoms at the dislocation core, yield unpinning energies and parameters of the obstacle theory of kink motion. The ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review B
سال: 2008
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.77.064106