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Title: Perfect Strain Relaxation in Metamorphic Epitaxial Aluminum on Silicon through Primary and Secondary Interface Misfit Dislocation Arrays

Understanding the atomically precise arrangement of atoms at epitaxial interfaces is important for emerging technologies such as quantum materials that have function and performance dictated by bonds and defects that are energetically active on the micro-electronvolt scale. A combination of atomistic modeling and dislocation theory analysis describes both primary and secondary dislocation networks at the metamorphic Al/Si (111) interface, which is experimentally validated by atomic resolution scanning transmission electron microscopy. The electron microscopy images show primary misfit dislocations for the majority of the strain relief and evidence of a secondary structure allowing for complete relaxation of the Al–Si misfit strain. Finally, this study demonstrates the equilibrium interface that represents the lowest energy structure of a highly mismatched and semicoherent single-crystal interface with complete strain relief in an atomically abrupt structure.
Authors:
 [1] ;  [2] ;  [2] ;  [3] ; ORCiD logo [4] ; ORCiD logo [3]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Division
  3. Univ. of Maryland, College Park, MD (United States). Lab. for Physical Sciences
  4. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Materials Science Division
Publication Date:
Report Number(s):
LA-UR-17-31321
Journal ID: ISSN 1936-0851
Grant/Contract Number:
AC52-06NA25396; AC05-76RL01830; AC52-07NA27344; AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
ACS Nano
Additional Journal Information:
Journal Name: ACS Nano; Journal ID: ISSN 1936-0851
Publisher:
American Chemical Society (ACS)
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; aluminum; bicrystal; interface; metamorphic; molecular beam epitaxy; molecular dynamic simulation; semicoherent; silicon
OSTI Identifier:
1459823