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Title: Computational simulation of subatomic-resolution AFM and STM images for graphene/hexagonal boron nitride heterostructures with intercalated defects

Authors:
; ; ;
Publication Date:
Grant/Contract Number:
FG02-06ER46286; AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 94 Journal Issue: 3; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1275982

Lee, Junsu, Kim, Minjung, Chelikowsky, James R., and Kim, Gunn. Computational simulation of subatomic-resolution AFM and STM images for graphene/hexagonal boron nitride heterostructures with intercalated defects. United States: N. p., Web. doi:10.1103/PhysRevB.94.035447.
Lee, Junsu, Kim, Minjung, Chelikowsky, James R., & Kim, Gunn. Computational simulation of subatomic-resolution AFM and STM images for graphene/hexagonal boron nitride heterostructures with intercalated defects. United States. doi:10.1103/PhysRevB.94.035447.
Lee, Junsu, Kim, Minjung, Chelikowsky, James R., and Kim, Gunn. 2016. "Computational simulation of subatomic-resolution AFM and STM images for graphene/hexagonal boron nitride heterostructures with intercalated defects". United States. doi:10.1103/PhysRevB.94.035447.
@article{osti_1275982,
title = {Computational simulation of subatomic-resolution AFM and STM images for graphene/hexagonal boron nitride heterostructures with intercalated defects},
author = {Lee, Junsu and Kim, Minjung and Chelikowsky, James R. and Kim, Gunn},
abstractNote = {},
doi = {10.1103/PhysRevB.94.035447},
journal = {Physical Review B},
number = 3,
volume = 94,
place = {United States},
year = {2016},
month = {7}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Van der Waals heterostructures
journal, July 2013
  • Geim, A. K.; Grigorieva, I. V.
  • Nature, Vol. 499, Issue 7459, p. 419-425
  • DOI: 10.1038/nature12385

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Frictional Characteristics of Atomically Thin Sheets
journal, April 2010

Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006
  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

Boron nitride substrates for high-quality graphene electronics
journal, August 2010
  • Dean, C. R.; Young, A. F.; Meric, I.
  • Nature Nanotechnology, Vol. 5, Issue 10, p. 722-726
  • DOI: 10.1038/nnano.2010.172