DOI: 10.1039/c8sc01274a. van der Waals forces control ferroelectric–antiferroelectric ordering in CuInP2S6 and CuBiP2Se6 laminar materials

van der Waals forces control ferroelectric–antiferroelectric ordering in CuInP2S6 and CuBiP2Se6 laminar materials

10.1039/c8sc01274a

Crossref journal-article

Royal Society of Chemistry (RSC)

Chemical Science (292)

Abstract

We show how van der Waals (vdW) forces outcompete covalent and ionic forces to control ferroelectric ordering in CuInP2S6 nanoflakes as well as in CuInP2S6 and CuBiP2Se6 crystals.

Bibliography

Reimers, J. R., Tawfik, S. A., & Ford, M. J. (2018). van der Waals forces control ferroelectricâantiferroelectric ordering in CuInP2S6 and CuBiP2Se6 laminar materials. Chemical Science, 9(39), 7620â7627.

Authors 3

Jeffrey R. Reimers (first)
Sherif Abdulkader Tawfik (additional)
Michael J. Ford (additional)

References 46 Referenced 42

10.1038/s41570-017-0017 / Nat. Rev. Chem. by Reimers (2017)
10.1073/pnas.1600472113 / Proc. Natl. Acad. Sci. U.S.A. by Reimers (2016)
10.1073/pnas.1600525113 / Proc. Natl. Acad. Sci. U.S.A. by Das (2016)
10.1021/ct050237r / J. Chem. Theor. Comput. by Bilic (2006)
J. R. Reimers , M.Li , D.Wan , T.Gould and M. J.Ford , in Noncovalent interactions in quantum chemistry and physics: theory and applications , ed. A. Otero de la Roza and G. DiLabio , Elsevier , Amsterdam , 2017 , p. 13 / Noncovalent interactions in quantum chemistry and physics: theory and applications by Reimers (2017)
10.1038/nnano.2012.238 / Nat. Nanotechnol. by Nerngchamnong (2013)
10.1038/nature12385 / Nature by Geim (2013)
10.1021/ja00905a001 / J. Am. Chem. Soc. by Pearson (1963)
10.1021/ed045p581 / J. Chem. Educ. by Pearson (1968)
10.1038/ncomms3229 / Nat. Commun. by Tagantsev (2013)
10.1021/cm00045a016 / Chem. Mater. by Simon (1994)
10.1016/0925-8388(94)01416-7 / J. Alloys Compd. by Maisonneuve (1995)
10.1103/PhysRevB.56.10860 / Phys. Rev. B: Condens. Matter Mater. Phys. by Maisonneuve (1997)
10.12693/APhysPolA.126.1143 / Acta Phys. Pol., A by Bercha (2014)
10.1021/acs.nanolett.5b00491 / Nano Lett. by Belianinov (2015)
10.1021/acsnano.5b05682 / ACS Nano by Susner (2015)
10.1038/ncomms12357 / Nat. Commun. by Liu (2016)
10.1021/ic050357+ / Inorg. Chem. by Gave (2005)
10.1021/cm00030a006 / Chem. Mater. by Maisonneuve (1993)
10.1021/ic00349a019 / Inorg. Chem. by Durand (1990)
{'key': 'C8SC01274A-(cit21)/*[position()=1]', 'first-page': '69', 'volume': '7', 'author': 'Carteaux', 'year': '1995', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Carteaux (1995)
10.1063/1.4822092 / J. Appl. Phys. by Ji (2013)
10.1038/nature22060 / Nature by Gong (2017)
10.1103/PhysRevB.47.558 / Phys. Rev. B: Condens. Matter Mater. Phys. by Kresse (1993)
10.1103/PhysRevB.59.1758 / Phys. Rev. B: Condens. Matter Mater. Phys. by Kresse (1999)
10.1103/PhysRevB.96.235420 / Phys. Rev. B by Song (2017)
10.1002/jcc.20495 / J. Comput. Chem. by Grimme (2006)
10.1063/1.3382344 / J. Chem. Phys. by Grimme (2010)
10.1103/PhysRevB.59.7413 / Phys. Rev. B: Condens. Matter Mater. Phys. by Hammer (1999)
10.1063/1.3545985 / J. Chem. Phys. by Steinmann (2011)
10.1103/PhysRevLett.102.073005 / Phys. Rev. Lett. by Tkatchenko (2009)
10.1103/PhysRevLett.108.236402 / Phys. Rev. Lett. by Tkatchenko (2012)
10.1063/1.4865104 / J. Chem. Phys. by Ambrosetti (2014)
{'key': 'C8SC01274A-(cit34)/*[position()=1]', 'first-page': '045201', 'volume': '28', 'author': 'Tomáš', 'year': '2016', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Tomáš (2016)
10.1103/PhysRevLett.92.246401 / Phys. Rev. Lett. by Dion (2004)
10.1103/PhysRevB.83.195131 / Phys. Rev. B: Condens. Matter Mater. Phys. by Klimeš (2011)
{'key': 'C8SC01274A-(cit37)/*[position()=1]', 'first-page': '193408', 'volume': '84', 'author': 'Lee', 'year': '2011', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Lee (2011)
10.1103/PhysRevB.33.8800 / Phys. Rev. B: Condens. Matter Mater. Phys. by Perdew (1986)
10.1063/1.2404663 / J. Chem. Phys. by Krukau (2006)
10.1021/jp501237c / J. Phys. Chem. C by Moellmann (2014)
10.1021/acs.jpcc.8b05349 / J. Phys. Chem. C by Tawfik (2018)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew (1996)
10.1039/C7CP04913G / Phys. Chem. Chem. Phys. by Goerigk (2017)
10.1002/qua.24635 / Int. J. Quantum Chem. by Dobson (2014)
10.1073/pnas.1516984112 / Proc. Natl. Acad. Sci. U.S.A. by Reimers (2015)
M. Li , J. R.Reimers , J. F.Dobson and T.Gould , 2018 , arXiv:1806.07532 by Li (2018)

Dates

Type	When
Created	6 years, 11 months ago (Sept. 17, 2018, 8:08 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 4:50 p.m.)
Indexed	1 week, 6 days ago (Aug. 7, 2025, 5:07 a.m.)
Issued	7 years, 7 months ago (Jan. 1, 2018)
Published	7 years, 7 months ago (Jan. 1, 2018)
Published Online	7 years, 7 months ago (Jan. 1, 2018)

Funders 3

Australian Research Council 10.13039/501100000923
Region: Oceania
gov (Other non-profit organizations)
Labels4
1. arc_gov_au
2. The Australian Research Council
3. Australian Government Australian Research Council (ARC)
4. ARC
Awards1
1. DP160101301
National Natural Science Foundation of China 10.13039/501100001809
Region: Asia
gov (National government)
Labels11
1. Chinese National Science Foundation
2. Natural Science Foundation of China
3. National Science Foundation of China
4. NNSF of China
5. NSF of China
6. 国家自然科学基金委员会
7. National Nature Science Foundation of China
8. Guójiā Zìrán Kēxué Jījīn Wěiyuánhuì
9. NSFC
10. NNSF
11. NNSFC
Awards1
1. 11674212
Government of Western Australia 10.13039/501100011025
Region: Oceania
gov (National government)
Labels3
1. Western Australian Government
2. WA Government, West Perth
3. WA Government

BibTeX

@article{Reimers_2018, title={van der Waals forces control ferroelectric–antiferroelectric ordering in CuInP2S6 and CuBiP2Se6 laminar materials}, volume={9}, ISSN={2041-6539}, url={http://dx.doi.org/10.1039/c8sc01274a}, DOI={10.1039/c8sc01274a}, number={39}, journal={Chemical Science}, publisher={Royal Society of Chemistry (RSC)}, author={Reimers, Jeffrey R. and Tawfik, Sherif Abdulkader and Ford, Michael J.}, year={2018}, pages={7620–7627} }

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      "volume": "2",
      "author": "Bilic",
      "year": "2006",
      "journal-title": "J. Chem. Theor. Comput."
    },
    {
      "key": "C8SC01274A-(cit5)/*[position()=1]",
      "first-page": "13",
      "volume-title": "Noncovalent interactions in quantum chemistry and physics: theory and applications",
      "author": "Reimers",
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    },
    {
      "key": "C8SC01274A-(cit6)/*[position()=1]",
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    {
      "key": "C8SC01274A-(cit7)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "419",
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      "author": "Geim",
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    },
    {
      "key": "C8SC01274A-(cit8)/*[position()=1]",
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      "first-page": "3533",
      "DOI": "10.1021/ja00905a001",
      "volume": "85",
      "author": "Pearson",
      "year": "1963",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C8SC01274A-(cit9)/*[position()=1]",
      "doi-asserted-by": "crossref",
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      "DOI": "10.1021/ed045p581",
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      "author": "Pearson",
      "year": "1968",
      "journal-title": "J. Chem. Educ."
    },
    {
      "key": "C8SC01274A-(cit10)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2229",
      "DOI": "10.1038/ncomms3229",
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      "author": "Tagantsev",
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    },
    {
      "key": "C8SC01274A-(cit11)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1575",
      "DOI": "10.1021/cm00045a016",
      "volume": "6",
      "author": "Simon",
      "year": "1994",
      "journal-title": "Chem. Mater."
    },
    {
      "key": "C8SC01274A-(cit12)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "157",
      "DOI": "10.1016/0925-8388(94)01416-7",
      "volume": "218",
      "author": "Maisonneuve",
      "year": "1995",
      "journal-title": "J. Alloys Compd."
    },
    {
      "key": "C8SC01274A-(cit13)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "10860",
      "DOI": "10.1103/PhysRevB.56.10860",
      "volume": "56",
      "author": "Maisonneuve",
      "year": "1997",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "C8SC01274A-(cit14)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1143",
      "DOI": "10.12693/APhysPolA.126.1143",
      "volume": "126",
      "author": "Bercha",
      "year": "2014",
      "journal-title": "Acta Phys. Pol., A"
    },
    {
      "key": "C8SC01274A-(cit15)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3808",
      "DOI": "10.1021/acs.nanolett.5b00491",
      "volume": "15",
      "author": "Belianinov",
      "year": "2015",
      "journal-title": "Nano Lett."
    },
    {
      "key": "C8SC01274A-(cit16)/*[position()=1]",
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      "DOI": "10.1021/acsnano.5b05682",
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      "author": "Susner",
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      "journal-title": "ACS Nano"
    },
    {
      "key": "C8SC01274A-(cit17)/*[position()=1]",
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      "first-page": "12357",
      "DOI": "10.1038/ncomms12357",
      "volume": "7",
      "author": "Liu",
      "year": "2016",
      "journal-title": "Nat. Commun."
    },
    {
      "key": "C8SC01274A-(cit18)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5293",
      "DOI": "10.1021/ic050357+",
      "volume": "44",
      "author": "Gave",
      "year": "2005",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "C8SC01274A-(cit19)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "758",
      "DOI": "10.1021/cm00030a006",
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      "author": "Maisonneuve",
      "year": "1993",
      "journal-title": "Chem. Mater."
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    {
      "key": "C8SC01274A-(cit20)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "4916",
      "DOI": "10.1021/ic00349a019",
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      "author": "Durand",
      "year": "1990",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "C8SC01274A-(cit21)/*[position()=1]",
      "first-page": "69",
      "volume": "7",
      "author": "Carteaux",
      "year": "1995",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "C8SC01274A-(cit22)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "114907",
      "DOI": "10.1063/1.4822092",
      "volume": "114",
      "author": "Ji",
      "year": "2013",
      "journal-title": "J. Appl. Phys."
    },
    {
      "key": "C8SC01274A-(cit23)/*[position()=1]",
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      "first-page": "265",
      "DOI": "10.1038/nature22060",
      "volume": "546",
      "author": "Gong",
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    {
      "key": "C8SC01274A-(cit24)/*[position()=1]",
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      "first-page": "558",
      "DOI": "10.1103/PhysRevB.47.558",
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      "author": "Kresse",
      "year": "1993",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "C8SC01274A-(cit25)/*[position()=1]",
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      "DOI": "10.1103/PhysRevB.59.1758",
      "volume": "59",
      "author": "Kresse",
      "year": "1999",
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    },
    {
      "key": "C8SC01274A-(cit26)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "235420",
      "DOI": "10.1103/PhysRevB.96.235420",
      "volume": "96",
      "author": "Song",
      "year": "2017",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "C8SC01274A-(cit27)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1787",
      "DOI": "10.1002/jcc.20495",
      "volume": "27",
      "author": "Grimme",
      "year": "2006",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "C8SC01274A-(cit28)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "154104",
      "DOI": "10.1063/1.3382344",
      "volume": "132",
      "author": "Grimme",
      "year": "2010",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C8SC01274A-(cit29)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7413",
      "DOI": "10.1103/PhysRevB.59.7413",
      "volume": "59",
      "author": "Hammer",
      "year": "1999",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "C8SC01274A-(cit30)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "044117",
      "DOI": "10.1063/1.3545985",
      "volume": "134",
      "author": "Steinmann",
      "year": "2011",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C8SC01274A-(cit31)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "073005",
      "DOI": "10.1103/PhysRevLett.102.073005",
      "volume": "102",
      "author": "Tkatchenko",
      "year": "2009",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "C8SC01274A-(cit32)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "236402",
      "DOI": "10.1103/PhysRevLett.108.236402",
      "volume": "108",
      "author": "Tkatchenko",
      "year": "2012",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "C8SC01274A-(cit33)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "18A508",
      "DOI": "10.1063/1.4865104",
      "volume": "140",
      "author": "Ambrosetti",
      "year": "2014",
      "journal-title": "J. Chem. Phys."
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