skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

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:
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); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1459823
Alternate Identifier(s):
OSTI ID: 1475459; OSTI ID: 1513099
Report Number(s):
LA-UR-17-31321; PNNL-SA-130724; LLNL-JRNL-740736
Journal ID: ISSN 1936-0851
Grant/Contract Number:  
AC52-06NA25396; AC05-76RL01830; AC52-07NA27344; AC02-06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
ACS Nano
Additional Journal Information:
Journal Volume: 12; Journal Issue: 7; Journal ID: ISSN 1936-0851
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; aluminum; bicrystal; interface; metamorphic; molecular beam epitaxy; molecular dynamic simulation; semicoherent; silicon; Materials science

Citation Formats

Liu, Xiang-Yang, Arslan, Ilke, Arey, Bruce W., Hackley, Justin, Lordi, Vincenzo, and Richardson, Christopher J. K. Perfect Strain Relaxation in Metamorphic Epitaxial Aluminum on Silicon through Primary and Secondary Interface Misfit Dislocation Arrays. United States: N. p., 2018. Web. doi:10.1021/acsnano.8b02065.
Liu, Xiang-Yang, Arslan, Ilke, Arey, Bruce W., Hackley, Justin, Lordi, Vincenzo, & Richardson, Christopher J. K. Perfect Strain Relaxation in Metamorphic Epitaxial Aluminum on Silicon through Primary and Secondary Interface Misfit Dislocation Arrays. United States. doi:10.1021/acsnano.8b02065.
Liu, Xiang-Yang, Arslan, Ilke, Arey, Bruce W., Hackley, Justin, Lordi, Vincenzo, and Richardson, Christopher J. K. Fri . "Perfect Strain Relaxation in Metamorphic Epitaxial Aluminum on Silicon through Primary and Secondary Interface Misfit Dislocation Arrays". United States. doi:10.1021/acsnano.8b02065. https://www.osti.gov/servlets/purl/1459823.
@article{osti_1459823,
title = {Perfect Strain Relaxation in Metamorphic Epitaxial Aluminum on Silicon through Primary and Secondary Interface Misfit Dislocation Arrays},
author = {Liu, Xiang-Yang and Arslan, Ilke and Arey, Bruce W. and Hackley, Justin and Lordi, Vincenzo and Richardson, Christopher J. K.},
abstractNote = {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.},
doi = {10.1021/acsnano.8b02065},
journal = {ACS Nano},
issn = {1936-0851},
number = 7,
volume = 12,
place = {United States},
year = {2018},
month = {6}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Figures / Tables:

Figure 1. Figure 1.: (a) Cross-sectional STEM image of the [1̅10] face of the Al/Si interface that is superposed with Fourier filtered image highlighting the diagonal {1̅11} planes. Red and blue lines indicate the two stacking sequences of Al on Si and the periodicity indicating the misfit dislocation spaced every 4 Almore » planes and 3 Si planes. (b) Cross-sectional slice of the simulated volume highlighting similar stacking order regions. Red dots are simulated Al atoms, blue dots are simulated Si atom positions, and the green and yellow highlighted sections are selected Fourier filtered planes of the simulated image. (c) Superposed image of cross-sectional STEM image and Fourier filtered planes similar to (a) but at a lower magnification, showing the periodicity of the layers of approximately 12.5 nm.« less

Save / Share:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.