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Phase field modeling of dislocations and obstacles in InSb

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/5.0092285· OSTI ID:1974939
 [1];  [2];  [3];  [1]
  1. Los Alamos National Laboratory (LANL), Los Alamos, NM (United States). X Computational Physics Division
  2. Stanford University, CA (United States)
  3. University of California, Santa Barbara, CA (United States)
+ Show Author Affiliations
We present a phase-field dislocation dynamics (PFDD) model informed by first-principle calculations to elucidate the competitive dislocation nucleation and propagation between the glide and shuffle sets in InSb diamond cubic crystal. The calculations are directly informed with generalized stacking fault energy curves on the (111) slip plane for both the “glide set,” with the smaller interplanar spacing, and the “shuffle set,” with the larger interplanar spacing. The formulation also includes elastic anisotropy and the gradient term associated with the dislocation core. The PFDD calculations show that under no stress the equilibrium structure of screw glide set dislocations dissociates into Shockley partials, while those of the shuffle set dislocations do not dissociate, remaining compact. The calculated dislocation core widths of these InSb dislocations agree well with the measured values for other semiconductor materials, such as Si and GaN. We find that a shuffle set dislocation emits from a dislocation source at an applied stress about three times smaller than that needed to emit leading and trailing partials successively on the glide set plane. Once the partial dislocations in the glide set are emitted, they propagate faster than the shuffle set perfect dislocation at the same stress level.
Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
Office of Naval Research (ONR); USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
89233218CNA000001
OSTI ID:
1974939
Alternate ID(s):
OSTI ID: 1875717
Report Number(s):
LA-UR-22-22652
Journal Information:
Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 2 Vol. 132; ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
crystallographic defects
mathematical modeling
semiconductors