DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Nontrivial strength of van der Waals epitaxial interaction in soft perovskites

Abstract

The van der Waals (vdW) bond is traditionally believed to be orders of magnitude lower than the typical chemical bond (i.e., ionic, metallic, or covalent), and hence the effects caused by a vdW interface are thought to be trivial. In this work, by investigating the vdW epitaxial growth of a mechanically soft perovskite on the vdW substrate, we obtained the solid proof of strong non-negligible vdW interaction. The experimental results illustrate the formation of cracks and holes for the relaxation of the vdW strain as well as a lattice-constant-dependent epitaxial angle evolution and a pronounced band-structure change. The first-principles calculations indicate that the contribution of the vdW interaction energy at the epitaxial interface reaches up to more than a quarter of the overall interaction energy far exceeding the traditionally recognized vdW bonding strength. Both the experimental and the theoretical work show that given the appropriate material system, the vdW interaction could be strong enough to significantly manipulate material properties.

Authors:
 [1];  [2];  [3];  [4];  [1];  [5];  [5];  [5];  [4];  [1]
  1. Rensselaer Polytechnic Inst., Troy, NY (United States). Dept. of Materials Science and Engineering
  2. Univ. of Science and Technology, Beijing (China). Corrosion and Protection Center and Key Lab. for Environmental Fracture (MOE)
  3. Rensselaer Polytechnic Inst., Troy, NY (United States). Dept. of Physics, Applied Physics and Astronomy; Hermes Microvision Inc.(HMI), San Jose, CA (United States)
  4. Rensselaer Polytechnic Inst., Troy, NY (United States). Dept. of Physics, Applied Physics and Astronomy
  5. Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE; National Key Research and Development Program of China; National Natural Science Foundation of China (NSFC); National Science Foundation (NSF)
OSTI Identifier:
1468626
Grant/Contract Number:  
AC02-06CH11357; 2017YFB0702100; 51705017; U1706221; 1635520
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 7; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; semiconductors

Citation Formats

Wang, Yiping, Gao, Lei, Yang, Yunbo, Xiang, Yu, Chen, Zhizhong, Dong, Yongqi, Zhou, Hua, Cai, Zhonghou, Wang, Gwo-Ching, and Shi, Jian. Nontrivial strength of van der Waals epitaxial interaction in soft perovskites. United States: N. p., 2018. Web. doi:10.1103/PhysRevMaterials.2.076002.
Wang, Yiping, Gao, Lei, Yang, Yunbo, Xiang, Yu, Chen, Zhizhong, Dong, Yongqi, Zhou, Hua, Cai, Zhonghou, Wang, Gwo-Ching, & Shi, Jian. Nontrivial strength of van der Waals epitaxial interaction in soft perovskites. United States. https://doi.org/10.1103/PhysRevMaterials.2.076002
Wang, Yiping, Gao, Lei, Yang, Yunbo, Xiang, Yu, Chen, Zhizhong, Dong, Yongqi, Zhou, Hua, Cai, Zhonghou, Wang, Gwo-Ching, and Shi, Jian. Fri . "Nontrivial strength of van der Waals epitaxial interaction in soft perovskites". United States. https://doi.org/10.1103/PhysRevMaterials.2.076002. https://www.osti.gov/servlets/purl/1468626.
@article{osti_1468626,
title = {Nontrivial strength of van der Waals epitaxial interaction in soft perovskites},
author = {Wang, Yiping and Gao, Lei and Yang, Yunbo and Xiang, Yu and Chen, Zhizhong and Dong, Yongqi and Zhou, Hua and Cai, Zhonghou and Wang, Gwo-Ching and Shi, Jian},
abstractNote = {The van der Waals (vdW) bond is traditionally believed to be orders of magnitude lower than the typical chemical bond (i.e., ionic, metallic, or covalent), and hence the effects caused by a vdW interface are thought to be trivial. In this work, by investigating the vdW epitaxial growth of a mechanically soft perovskite on the vdW substrate, we obtained the solid proof of strong non-negligible vdW interaction. The experimental results illustrate the formation of cracks and holes for the relaxation of the vdW strain as well as a lattice-constant-dependent epitaxial angle evolution and a pronounced band-structure change. The first-principles calculations indicate that the contribution of the vdW interaction energy at the epitaxial interface reaches up to more than a quarter of the overall interaction energy far exceeding the traditionally recognized vdW bonding strength. Both the experimental and the theoretical work show that given the appropriate material system, the vdW interaction could be strong enough to significantly manipulate material properties.},
doi = {10.1103/PhysRevMaterials.2.076002},
journal = {Physical Review Materials},
number = 7,
volume = 2,
place = {United States},
year = {Fri Jul 27 00:00:00 EDT 2018},
month = {Fri Jul 27 00:00:00 EDT 2018}
}

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

Citation Metrics:
Cited by: 31 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Experimental observation of the quantum Hall effect and Berry's phase in graphene
journal, November 2005

  • Zhang, Yuanbo; Tan, Yan-Wen; Stormer, Horst L.
  • Nature, Vol. 438, Issue 7065, p. 201-204
  • DOI: 10.1038/nature04235

Observation of Orientational Ordering of Incommensurate Argon Monolayers on Graphite
journal, October 1978


Study on the Surface Energy of Graphene by Contact Angle Measurements
journal, July 2014

  • Kozbial, Andrew; Li, Zhiting; Conaway, Caitlyn
  • Langmuir, Vol. 30, Issue 28
  • DOI: 10.1021/la5018328

Band filling with free charge carriers in organometal halide perovskites
journal, August 2014


Projector augmented-wave method
journal, December 1994


Epitaxial Halide Perovskite Lateral Double Heterostructure
journal, February 2017


Thin Film Materials
book, July 2010


Band gap engineering of a soft inorganic compound PbI 2 by incommensurate van der Waals epitaxy
journal, January 2016

  • Wang, Yiping; Sun, Yi-Yang; Zhang, Shengbai
  • Applied Physics Letters, Vol. 108, Issue 1
  • DOI: 10.1063/1.4939269

Interlayer electron–phonon coupling in WSe2/hBN heterostructures
journal, October 2016

  • Jin, Chenhao; Kim, Jonghwan; Suh, Joonki
  • Nature Physics, Vol. 13, Issue 2
  • DOI: 10.1038/nphys3928

Quantification of re-absorption and re-emission processes to determine photon recycling efficiency in perovskite single crystals
journal, February 2017

  • Fang, Yanjun; Wei, Haotong; Dong, Qingfeng
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms14417

Large polarization-dependent exciton optical Stark effect in lead iodide perovskites
journal, August 2016

  • Yang, Ye; Yang, Mengjin; Zhu, Kai
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms12613

Two-Dimensional CH 3 NH 3 PbI 3 Perovskite: Synthesis and Optoelectronic Application
journal, February 2016


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


Graphene adhesion on mica: Role of surface morphology
journal, January 2011


Chemical accuracy for the van der Waals density functional
journal, December 2009

  • Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos
  • Journal of Physics: Condensed Matter, Vol. 22, Issue 2
  • DOI: 10.1088/0953-8984/22/2/022201

Continuing to soar
journal, August 2014


Photon Transport in One-Dimensional Incommensurately Epitaxial CsPbX 3 Arrays
journal, November 2016


Testing several recent van der Waals density functionals for layered structures
journal, August 2014

  • Björkman, Torbjörn
  • The Journal of Chemical Physics, Vol. 141, Issue 7
  • DOI: 10.1063/1.4893329

Ultraflat graphene
journal, November 2009


Thermal Expansion Coefficients of Ruby Muscovite Mica
journal, June 1969

  • Goldstein, Lester; Post, Ben
  • Journal of Applied Physics, Vol. 40, Issue 7
  • DOI: 10.1063/1.1658130

Dislocation-Free Island Formation in Heteroepitaxial Growth: A Study at Equilibrium
journal, November 1997


Surface-Guided CsPbBr 3 Perovskite Nanowires on Flat and Faceted Sapphire with Size-Dependent Photoluminescence and Fast Photoconductive Response
journal, December 2017


Van der waals forces
journal, January 1939


Controlled Synthesis of High-Mobility Atomically Thin Bismuth Oxyselenide Crystals
journal, April 2017


Perovskite solar cells: an emerging photovoltaic technology
journal, March 2015


Preparation and Applications of Mechanically Exfoliated Single-Layer and Multilayer MoS2 and WSe2 Nanosheets
journal, February 2014

  • Li, Hai; Wu, Jumiati; Yin, Zongyou
  • Accounts of Chemical Research, Vol. 47, Issue 4, p. 1067-1075
  • DOI: 10.1021/ar4002312

Recent developments and future directions in the growth of nanostructures by van der Waals epitaxy
journal, January 2013

  • Bakti Utama, Muhammad Iqbal; Zhang, Qing; Zhang, Jun
  • Nanoscale, Vol. 5, Issue 9
  • DOI: 10.1039/c3nr34011b

Size-dependent phase transition in methylammonium lead iodide perovskite microplate crystals
journal, April 2016

  • Li, Dehui; Wang, Gongming; Cheng, Hung-Chieh
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11330

Determination of Thermal Expansion Coefficients and Locating the Temperature-Induced Phase Transition in Methylammonium Lead Perovskites Using X-ray Diffraction
journal, October 2015


Commensurate–incommensurate transition in graphene on hexagonal boron nitride
journal, April 2014

  • Woods, C. R.; Britnell, L.; Eckmann, A.
  • Nature Physics, Vol. 10, Issue 6
  • DOI: 10.1038/nphys2954

Under the spotlight: The organic–inorganic hybrid halide perovskite for optoelectronic applications
journal, June 2015


Strain-engineered growth of two-dimensional materials
journal, September 2017


Mechanical properties of A Pb X 3 ( A = Cs or CH 3 NH 3 ; X = I or Br) perovskite single crystals
journal, October 2015

  • Rakita, Yevgeny; Cohen, Sidney R.; Kedem, Nir Klein
  • MRS Communications, Vol. 5, Issue 4
  • DOI: 10.1557/mrc.2015.69

Two-Dimensional van der Waals Epitaxy Kinetics in a Three-Dimensional Perovskite Halide
journal, August 2015


Dynamic Optical Properties of CH 3 NH 3 PbI 3 Single Crystals As Revealed by One- and Two-Photon Excited Photoluminescence Measurements
journal, August 2015

  • Yamada, Yasuhiro; Yamada, Takumi; Phuong, Le Quang
  • Journal of the American Chemical Society, Vol. 137, Issue 33
  • DOI: 10.1021/jacs.5b04503

The two-dimensional phase of boron nitride: Few-atomic-layer sheets and suspended membranes
journal, March 2008

  • Pacilé, D.; Meyer, J. C.; Girit, Ç. Ö.
  • Applied Physics Letters, Vol. 92, Issue 13
  • DOI: 10.1063/1.2903702

Van der Waals epitaxy—a new epitaxial growth method for a highly lattice-mismatched system
journal, August 1992


High electron mobility and quantum oscillations in non-encapsulated ultrathin semiconducting Bi2O2Se
journal, April 2017

  • Wu, Jinxiong; Yuan, Hongtao; Meng, Mengmeng
  • Nature Nanotechnology, Vol. 12, Issue 6
  • DOI: 10.1038/nnano.2017.43

Mechanisms of Stranski-Krastanov growth
journal, February 2012

  • Baskaran, Arvind; Smereka, Peter
  • Journal of Applied Physics, Vol. 111, Issue 4
  • DOI: 10.1063/1.3679068

Orientational Epitaxy—the Orientational Ordering of Incommensurate Structures
journal, May 1977


Photoluminescence from Chemically Exfoliated MoS2
journal, December 2011

  • Eda, Goki; Yamaguchi, Hisato; Voiry, Damien
  • Nano Letters, Vol. 11, Issue 12, p. 5111-5116
  • DOI: 10.1021/nl201874w

The Oxidation of Silicon in Dry Oxygen, Wet Oxygen, and Steam
journal, January 1963

  • Deal, Bruce E.
  • Journal of The Electrochemical Society, Vol. 110, Issue 6
  • DOI: 10.1149/1.2425807

Two-dimensional gas of massless Dirac fermions in graphene
journal, November 2005

  • Novoselov, K. S.; Geim, A. K.; Morozov, S. V.
  • Nature, Vol. 438, Issue 7065, p. 197-200
  • DOI: 10.1038/nature04233

Parallel Nanoimprint Forming of One-Dimensional Chiral Semiconductor for Strain-Engineered Optical Properties
journal, August 2020


Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020


Quantification of re-Absorption and re-emission processes to determine photon recycling efficiency in perovskite single crystals
text, January 2017

  • Q., Dong,; H., Wei,; Y., Fang,
  • The University of North Carolina at Chapel Hill University Libraries
  • DOI: 10.17615/57bk-3140

Chemical accuracy for the van der Waals density functional
preprint, January 2009


Mechanisms of Stranski-Krastanov Growth
text, January 2011


Van der Waals density functionals applied to solids
text, January 2011


Commensurate-incommensurate transition for graphene on hexagonal boron nitride
text, January 2014


Two-Dimensional Van der Waals Epitaxy Kinetics in a Three-Dimensional Perovskite Halide
text, January 2015


Experimental Observation of Quantum Hall Effect and Berry's Phase in Graphene
text, January 2005


Works referencing / citing this record:

Single‐Crystal Hybrid Perovskite Platelets on Graphene: A Mixed‐Dimensional Van Der Waals Heterostructure with Strong Interface Coupling
journal, February 2020

  • Liu, Zhixiong; You, Lu; Faraji, Nastaran
  • Advanced Functional Materials, Vol. 30, Issue 12
  • DOI: 10.1002/adfm.201909672

Large lattice distortions and size-dependent bandgap modulation in epitaxial halide perovskite nanowires
journal, January 2020


Ultrahigh photo-stable all-inorganic perovskite nanocrystals and their robust random lasing
journal, January 2020

  • Yang, Liuli; Wang, Ting; Min, Qiuhong
  • Nanoscale Advances, Vol. 2, Issue 2
  • DOI: 10.1039/c9na00775j

Analyses of orientational superlattice domains in epitaxial ZnTe thin films grown on graphene and mica
journal, November 2018

  • Mohanty, Dibyajyoti; Sun, Xin; Lu, Zonghuan
  • Journal of Applied Physics, Vol. 124, Issue 17
  • DOI: 10.1063/1.5052644

Growth modes and quantum confinement in ultrathin vapour-deposited MAPbI₃ films
text, January 2019