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Title: Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials

Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 6; Journal ID: ISSN 2475-9953
American Physical Society
Country of Publication:
United States

Citation Formats

Young, Joshua, and Rondinelli, James M. Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials. United States: N. p., 2018. Web.
Young, Joshua, & Rondinelli, James M. Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials. United States.
Young, Joshua, and Rondinelli, James M. Fri . "Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials". United States.
title = {Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials},
author = {Young, Joshua and Rondinelli, James M.},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.2.065406},
journal = {Physical Review Materials},
number = 6,
volume = 2,
place = {United States},
year = {2018},
month = {6}

Works referenced in this record:

Anharmonic lattice interactions in improper ferroelectrics for multiferroic design
journal, June 2015

Kristallstrukturen und Phasentransformationen von Caesiumtrihalogenogermanaten(II) CsGeX3 (X = Cl, Br, I)
journal, February 1987

  • Thiele, Gerhard; Rotter, Heinz Wilhelm; Schmidt, Klaus Dieter
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 545, Issue 2
  • DOI: 10.1002/zaac.19875450217

Improved Parameterization of Auger Recombination in Silicon
journal, January 2012

Substrate effects on photoluminescence and low temperature phase transition of methylammonium lead iodide hybrid perovskite thin films
journal, July 2017

  • Shojaee, S. A.; Harriman, T. A.; Han, G. S.
  • Applied Physics Letters, Vol. 111, Issue 2
  • DOI: 10.1063/1.4993761

Strained hybrid perovskite thin films and their impact on the intrinsic stability of perovskite solar cells
journal, November 2017

Projector augmented-wave method
journal, December 1994

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

Bandgap tuning of multiferroic oxide solar cells
journal, November 2014

Ferroelectric materials for solar energy conversion: photoferroics revisited
journal, January 2015

  • Butler, Keith T.; Frost, Jarvist M.; Walsh, Aron
  • Energy & Environmental Science, Vol. 8, Issue 3
  • DOI: 10.1039/C4EE03523B

A-site cation ordering in AA′BB′O6 perovskites
journal, April 2006

Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells
journal, June 2017

Improper ferroelectricity and piezoelectric responses in rhombohedral ( A , A ) B 2 O 6 perovskite oxides
journal, May 2014

Die Kristallstrukturen und Phasentransformationen des tetramorphen RbGel3
journal, January 1989

  • Thiele, G.; Rotter, H. W.; Schmidt, K. D.
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 571, Issue 1
  • DOI: 10.1002/zaac.19895710106

Interface engineering of highly efficient perovskite solar cells
journal, July 2014

Thin‐film CdS/CdTe solar cell with 15.8% efficiency
journal, May 1993

  • Britt, J.; Ferekides, C.
  • Applied Physics Letters, Vol. 62, Issue 22
  • DOI: 10.1063/1.109629

Room temperature ferroelectricity of hybrid organic–inorganic perovskites with mixed iodine and bromine
journal, January 2018

  • Xiao, Juanxiu; Chang, Jingjing; Li, Bichen
  • Journal of Materials Chemistry A, Vol. 6, Issue 20
  • DOI: 10.1039/C7TA09967C

Ordered double perovskites – a group-theoretical analysis
journal, July 2003

  • Howard, Christopher J.; Kennedy, Brendan J.; Woodward, Patrick M.
  • Acta Crystallographica Section B Structural Science, Vol. 59, Issue 4
  • DOI: 10.1107/S0108768103010073

Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities
journal, January 2011

  • Fukushima, T.; Stroppa, A.; Picozzi, S.
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 26
  • DOI: 10.1039/c1cp20626e

Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites
journal, April 2012

Tin perovskite/fullerene planar layer photovoltaics: improving the efficiency and stability of lead-free devices
journal, January 2015

  • Marshall, Kenneth P.; Walton, Richard I.; Hatton, Ross A.
  • Journal of Materials Chemistry A, Vol. 3, Issue 21
  • DOI: 10.1039/C5TA02950C

127I-NQR, 119 Sn Mössbauer Effect, and Electrical Conductivity of MSnI3 (M = K, NH4 , Rb, Cs, and CH3NH3 )
journal, April 1990

  • Yamada, Koji; Matsui, Takashi; Tsuritani, Tomoko
  • Zeitschrift für Naturforschung A, Vol. 45, Issue 3-4
  • DOI: 10.1515/zna-1990-3-416

Theory of polarization of crystalline solids
journal, January 1993

What Remains Unexplained about the Properties of Halide Perovskites?
journal, March 2018

  • Egger, David A.; Bera, Achintya; Cahen, David
  • Advanced Materials, Vol. 30, Issue 20
  • DOI: 10.1002/adma.201800691

The generalized Shockley-Queisser limit for nanostructured solar cells
journal, September 2015

  • Xu, Yunlu; Gong, Tao; Munday, Jeremy N.
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep13536

Halide perovskite materials for solar cells: a theoretical review
journal, January 2015

  • Yin, Wan-Jian; Yang, Ji-Hui; Kang, Joongoo
  • Journal of Materials Chemistry A, Vol. 3, Issue 17
  • DOI: 10.1039/C4TA05033A

Macroscopic polarization in crystalline dielectrics: the geometric phase approach
journal, July 1994

Hybrid Improper Ferroelectricity: A Mechanism for Controllable Polarization-Magnetization Coupling
journal, March 2011

Magnetic and structural properties of NaLnMnWO6 and NaLnMgWO6 perovskites
journal, June 2009

  • King, Graham; Wayman, Lora M.; Woodward, Patrick M.
  • Journal of Solid State Chemistry, Vol. 182, Issue 6
  • DOI: 10.1016/j.jssc.2009.02.033

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Large Isosymmetric Reorientation of Oxygen Octahedra Rotation Axes in Epitaxially Strained Perovskites
journal, June 2011

Atomic Scale Design of Polar Perovskite Oxides without Second-Order Jahn–Teller Ions
journal, November 2013

  • Young, Joshua; Rondinelli, James M.
  • Chemistry of Materials, Vol. 25, Issue 22
  • DOI: 10.1021/cm402550q

Combinatorial screening of halide perovskite thin films and solar cells by mask-defined IR laser molecular beam epitaxy
journal, January 2017

  • Kawashima, Kazuhiro; Okamoto, Yuji; Annayev, Orazmuhammet
  • Science and Technology of Advanced Materials, Vol. 18, Issue 1
  • DOI: 10.1080/14686996.2017.1314172

Design of noncentrosymmetric perovskites from centric and acentric basic building units
journal, January 2016

  • Young, Joshua; Lalkiya, Parth; Rondinelli, James M.
  • Journal of Materials Chemistry C, Vol. 4, Issue 18
  • DOI: 10.1039/C5TC04239A

A Thin Film Approach to Engineering Functionality into Oxides
journal, August 2008

The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies
journal, January 2013

  • Baerends, E. J.; Gritsenko, O. V.; van Meer, R.
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 39
  • DOI: 10.1039/c3cp52547c

Phase Transitions in Epitaxial ( 110 ) BiFeO 3 Films from First Principles
journal, September 2011

Absence of ferroelectricity in methylammonium lead iodide perovskite
journal, September 2017

  • Sajedi Alvar, Mohammad; Kumar, Manasvi; Blom, Paul W. M.
  • AIP Advances, Vol. 7, Issue 9
  • DOI: 10.1063/1.4994957

Lead-Free Halide Perovskite Solar Cells with High Photocurrents Realized Through Vacancy Modulation
journal, September 2014

  • Kumar, Mulmudi Hemant; Dharani, Sabba; Leong, Wei Lin
  • Advanced Materials, Vol. 26, Issue 41
  • DOI: 10.1002/adma.201401991

Improper ferroelectricity in perovskite oxide artificial superlattices
journal, April 2008

  • Bousquet, Eric; Dawber, Matthew; Stucki, Nicolas
  • Nature, Vol. 452, Issue 7188
  • DOI: 10.1038/nature06817

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Cation ordering in perovskites
journal, January 2010

  • King, Graham; Woodward, Patrick M.
  • Journal of Materials Chemistry, Vol. 20, Issue 28
  • DOI: 10.1039/b926757c

Ferroelectricity in Ruddlesden–Popper Chalcogenide Perovskites for Photovoltaic Application: The Role of Tolerance Factor
journal, November 2017

  • Zhang, Yajun; Shimada, Takahiro; Kitamura, Takayuki
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 23
  • DOI: 10.1021/acs.jpclett.7b02591

Determinants of the Pace of Global Innovation in Energy Technologies
journal, October 2013

Tuning the ferroelectric polarization in AA′MnWO 6 double perovskites through A cation substitution
journal, January 2015

  • Young, Joshua; Stroppa, Alessandro; Picozzi, Silvia
  • Dalton Transactions, Vol. 44, Issue 23
  • DOI: 10.1039/C4DT03521F

Lead-free germanium iodide perovskite materials for photovoltaic applications
journal, January 2015

  • Krishnamoorthy, Thirumal; Ding, Hong; Yan, Chen
  • Journal of Materials Chemistry A, Vol. 3, Issue 47
  • DOI: 10.1039/C5TA05741H

Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering
journal, November 2016

Inhomogeneous Electron Gas
journal, November 1964

Polar octahedral rotations: A path to new multifunctional materials
journal, November 2012

  • Benedek, Nicole A.; Mulder, Andrew T.; Fennie, Craig J.
  • Journal of Solid State Chemistry, Vol. 195
  • DOI: 10.1016/j.jssc.2012.04.012

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008

The classification of tilted octahedra in perovskites
journal, November 1972

  • Glazer, A. M.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 11
  • DOI: 10.1107/S0567740872007976

Polar Oxides without Inversion Symmetry through Vacancy and Chemical Order
journal, February 2017

  • Young, Joshua; Moon, Eun Ju; Mukherjee, Debangshu
  • Journal of the American Chemical Society, Vol. 139, Issue 7
  • DOI: 10.1021/jacs.6b10697

Air-Stable All-Inorganic Nanocrystal Solar Cells Processed from Solution
journal, October 2005

  • Gur, Ilan; Fromer, Neil A.; Geier, Michael L.
  • Science, Vol. 310, Issue 5747, p. 462-465
  • DOI: 10.1126/science.1117908

Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
journal, November 2013

  • Grinberg, Ilya; West, D. Vincent; Torres, Maria
  • Nature, Vol. 503, Issue 7477, p. 509-512
  • DOI: 10.1038/nature12622

Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
journal, March 1961

  • Shockley, William; Queisser, Hans J.
  • Journal of Applied Physics, Vol. 32, Issue 3, p. 510-519
  • DOI: 10.1063/1.1736034

Arising applications of ferroelectric materials in photovoltaic devices
journal, January 2014

  • Yuan, Yongbo; Xiao, Zhengguo; Yang, Bin
  • J. Mater. Chem. A, Vol. 2, Issue 17
  • DOI: 10.1039/C3TA14188H

Synthesis and Characterization of New AAB WO 6 Perovskites Exhibiting Simultaneous Ordering of A -Site and B -Site Cations
journal, December 2007

  • King, Graham; Thimmaiah, Srinivasa; Dwivedi, Akansha
  • Chemistry of Materials, Vol. 19, Issue 26
  • DOI: 10.1021/cm0716708

A -Site Ordered Double Perovskite CaMnTi 2 O 6 as a Multifunctional Piezoelectric and Ferroelectric–Photovoltaic Material
journal, September 2017

Octahedral Rotation Preferences in Perovskite Iodides and Bromides
journal, February 2016

CsSnI3 : Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions
journal, May 2012

  • Chung, In; Song, Jung-Hwan; Im, Jino
  • Journal of the American Chemical Society, Vol. 134, Issue 20, p. 8579-8587
  • DOI: 10.1021/ja301539s

Perovskites: The Emergence of a New Era for Low-Cost, High-Efficiency Solar Cells
journal, October 2013

  • Snaith, Henry J.
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 21, p. 3623-3630
  • DOI: 10.1021/jz4020162

Ferroelectricity of CH 3 NH 3 PbI 3 Perovskite
journal, March 2015

Magnetic structures of Na L MnWO 6 perovskites ( L = La , Nd , Tb )
journal, June 2009