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

Title: Local polar fluctuations in lead halide perovskite crystals

Abstract

Hybrid lead-halide perovskites have emerged as an excellent class of photovoltaic materials. Recent reports suggest that the organic molecular cation is responsible for local polar fluctuations that inhibit carrier recombination. We combine low-frequency Raman scattering with first-principles molecular dynamics (MD) to study the fundamental nature of these local polar fluctuations. Our observations of a strong central peak in the cubic phase of both hybrid (CH3NH3PbBr3) and all-inorganic (CsPbBr3) lead-halide perovskites show that anharmonic, local polar fluctuations are intrinsic to the general lead-halide perovskite structure, and not unique to the dipolar organic cation. MD simulations indicate that head-to-head Cs motion coupled to Br face expansion, occurring on a few hundred femtosecond time scale, drives the local polar fluctuations in CsPbBr3.

Authors:
 [1];  [1];  [2];  [3];  [1];  [4];  [2];  [5];  [3];  [6];  [1];  [2];  [7];  [1]
  1. Columbia Univ., New York, NY (United States)
  2. Univ. of Pennsylvania, Philadelphia, PA (United States)
  3. Weizmann Institute of Science, Rehovoth (Israel)
  4. Argonne National Lab. (ANL), Argonne, IL (United States)
  5. Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  6. Argonne National Lab. (ANL), Argonne, IL (United States); Northwestern Univ., Evanston, IL (United States)
  7. Columbia Univ., New York, NY (United States); Univ. Federal de Minas Gerais, Belo Horizonte (Brazil)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Re-Defining Photovoltaic Efficiency Through Molecule Scale Control (RPEMSC); Northwestern Univ., Evanston, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1352545
Alternate Identifier(s):
OSTI ID: 1349148; OSTI ID: 1494837
Grant/Contract Number:  
SC0001085; IOF-622653; N00014-14-1-0761; N00014-12-1-1033; FG02-07ER46431; J3608-N20; NA0002522; AC02-76SF00515
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 118; Journal Issue: 13; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; 36 MATERIALS SCIENCE; local polar fluctuations; hybrid perovskites; low frequency Raman scattering; molecular dynamics; radiation detection; Central peak

Citation Formats

Yaffe, Omer, Guo, Yinsheng, Tan, Liang Z., Egger, David A., Hull, Trevor, Stoumpos, Constantinos C., Zheng, Fan, Heinz, Tony F., Kronik, Leeor, Kanatzidis, Mercouri G., Owen, Jonathan S., Rappe, Andrew M., Pimenta, Marcos A., and Brus, Louis E. Local polar fluctuations in lead halide perovskite crystals. United States: N. p., 2017. Web. doi:10.1103/PhysRevLett.118.136001.
Yaffe, Omer, Guo, Yinsheng, Tan, Liang Z., Egger, David A., Hull, Trevor, Stoumpos, Constantinos C., Zheng, Fan, Heinz, Tony F., Kronik, Leeor, Kanatzidis, Mercouri G., Owen, Jonathan S., Rappe, Andrew M., Pimenta, Marcos A., & Brus, Louis E. Local polar fluctuations in lead halide perovskite crystals. United States. doi:https://doi.org/10.1103/PhysRevLett.118.136001
Yaffe, Omer, Guo, Yinsheng, Tan, Liang Z., Egger, David A., Hull, Trevor, Stoumpos, Constantinos C., Zheng, Fan, Heinz, Tony F., Kronik, Leeor, Kanatzidis, Mercouri G., Owen, Jonathan S., Rappe, Andrew M., Pimenta, Marcos A., and Brus, Louis E. Tue . "Local polar fluctuations in lead halide perovskite crystals". United States. doi:https://doi.org/10.1103/PhysRevLett.118.136001. https://www.osti.gov/servlets/purl/1352545.
@article{osti_1352545,
title = {Local polar fluctuations in lead halide perovskite crystals},
author = {Yaffe, Omer and Guo, Yinsheng and Tan, Liang Z. and Egger, David A. and Hull, Trevor and Stoumpos, Constantinos C. and Zheng, Fan and Heinz, Tony F. and Kronik, Leeor and Kanatzidis, Mercouri G. and Owen, Jonathan S. and Rappe, Andrew M. and Pimenta, Marcos A. and Brus, Louis E.},
abstractNote = {Hybrid lead-halide perovskites have emerged as an excellent class of photovoltaic materials. Recent reports suggest that the organic molecular cation is responsible for local polar fluctuations that inhibit carrier recombination. We combine low-frequency Raman scattering with first-principles molecular dynamics (MD) to study the fundamental nature of these local polar fluctuations. Our observations of a strong central peak in the cubic phase of both hybrid (CH3NH3PbBr3) and all-inorganic (CsPbBr3) lead-halide perovskites show that anharmonic, local polar fluctuations are intrinsic to the general lead-halide perovskite structure, and not unique to the dipolar organic cation. MD simulations indicate that head-to-head Cs motion coupled to Br face expansion, occurring on a few hundred femtosecond time scale, drives the local polar fluctuations in CsPbBr3.},
doi = {10.1103/PhysRevLett.118.136001},
journal = {Physical Review Letters},
number = 13,
volume = 118,
place = {United States},
year = {2017},
month = {3}
}

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

Citation Metrics:
Cited by: 45 works
Citation information provided by
Web of Science

Figures / Tables:

FIG. 1. FIG. 1. : Low-frequency Raman spectra of hybrid and inorganic lead-halide perovskite crystals. The spectral region obscured by the notch-filter, between ±10 cm−1 (marked by the vertical dashed lines), has been deleted. (a) CH3NH3PbBr3 and (b) CsPbBr3 in the orthorhombic phase (blue), tetragonal phase (green), and cubic phase (red), showingmore » growth of central peak with temperature in both materials.« less

Save / Share:

Works referenced in this record:

Temperature dependence of the low‐ and high‐frequency Raman scattering from liquid water
journal, December 1986

  • Walrafen, G. E.; Fisher, M. R.; Hokmabadi, M. S.
  • The Journal of Chemical Physics, Vol. 85, Issue 12
  • DOI: 10.1063/1.451384

Thermal Effects on CH 3 NH 3 PbI 3 Perovskite from Ab Initio Molecular Dynamics Simulations
journal, March 2015

  • Carignano, Marcelo A.; Kachmar, Ali; Hutter, Jürg
  • The Journal of Physical Chemistry C, Vol. 119, Issue 17
  • DOI: 10.1021/jp510568n

Low-frequency modes in vitreous silica
journal, October 1986


Very-low-frequency Raman scattering in vitreous silica
journal, September 1975


Determination of crystallographic orientations in silicon films by Raman‐microprobe polarization measurements
journal, April 1989

  • Mizoguchi, Kohji; Nakashima, Shin‐ichi
  • Journal of Applied Physics, Vol. 65, Issue 7
  • DOI: 10.1063/1.342787

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


Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics
journal, January 2015

  • Quarti, Claudio; Mosconi, Edoardo; De Angelis, Filippo
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 14
  • DOI: 10.1039/C5CP00599J

Structural Phase Transitions in CsPbBr 3
journal, November 1974

  • Hirotsu, Shunsuke; Harada, Jimpei; Iizumi, Masashi
  • Journal of the Physical Society of Japan, Vol. 37, Issue 5
  • DOI: 10.1143/JPSJ.37.1393

Second-order central peak in the Raman spectra of disordered ferroelectrics
journal, April 1999


Hybrid Organic–Inorganic Perovskites on the Move
journal, February 2016


Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH 3 NH 3 PbI 3
journal, November 2015


Study of the central peak in Raman spectra of SBN crystals
journal, September 2010

  • Malinovsky, V. K.; Pugachev, A. M.; Surovtsev, N. V.
  • Bulletin of the Russian Academy of Sciences: Physics, Vol. 74, Issue 9
  • DOI: 10.3103/S1062873810090133

Structural and electronic properties of organo-halide lead perovskites: a combined IR-spectroscopy and ab initio molecular dynamics investigation
journal, January 2014

  • Mosconi, Edoardo; Quarti, Claudio; Ivanovska, Tanja
  • Phys. Chem. Chem. Phys., Vol. 16, Issue 30
  • DOI: 10.1039/C4CP00569D

Phase transitions and crystal dynamics in the cubic perovskite CH3NH3PbCl3
journal, August 1997


Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3
journal, April 2015

  • Motta, Carlo; El-Mellouhi, Fedwa; Kais, Sabre
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8026

Crystal Growth of the Perovskite Semiconductor CsPbBr 3 : A New Material for High-Energy Radiation Detection
journal, June 2013

  • Stoumpos, Constantinos C.; Malliakas, Christos D.; Peters, John A.
  • Crystal Growth & Design, Vol. 13, Issue 7
  • DOI: 10.1021/cg400645t

Study of the low-frequency Raman scattering in NaNbO 3 crystal
journal, February 2003


Ferroelectricity in perovskitelike NaCaF 3 predicted ab initio
journal, May 1989


A Raman and dielectric study of ferroelectric ceramics
journal, July 1999

  • Farhi, R.; El Marssi, M.; Simon, A.
  • The European Physical Journal B, Vol. 9, Issue 4
  • DOI: 10.1007/s100510050803

On the theory of the central peak at structural phase transitions
journal, June 1987

  • Aksenov, V. L.; Bobeth, M.; Plakida, N. M.
  • Zeitschrift f�r Physik B Condensed Matter, Vol. 69, Issue 2-3
  • DOI: 10.1007/BF01307297

The origin of antiferroelectricity in PbZrO3
journal, July 2013

  • Tagantsev, A. K.; Vaideeswaran, K.; Vakhrushev, S. B.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms3229

Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials
journal, May 2016


The light and shade of perovskite solar cells
journal, August 2014


Temperature Evolution of Methylammonium Trihalide Vibrations at the Atomic Scale
journal, January 2016


Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352 K
journal, January 2015

  • Weller, Mark T.; Weber, Oliver J.; Henry, Paul F.
  • Chemical Communications, Vol. 51, Issue 20
  • DOI: 10.1039/C4CC09944C

Central peak in light scattering from the relaxor ferroelectric PbMg 1 / 3 Nb 2 / 3 O 3
journal, October 1997


Study of Local Structure in Selected Organic–Inorganic Perovskites in the Pmm Phase
journal, February 2008

  • Worhatch, Richard J.; Kim, HyunJeong; Swainson, Ian P.
  • Chemistry of Materials, Vol. 20, Issue 4
  • DOI: 10.1021/cm702668d

What Is Moving in Hybrid Halide Perovskite Solar Cells?
journal, February 2016


Elastic softening and central peaks in BaTiO3 single crystals above the cubic-tetragonal phase-transition temperature
journal, September 2008

  • Ko, J. -H.; Kojima, S.; Koo, T. -Y.
  • Applied Physics Letters, Vol. 93, Issue 10
  • DOI: 10.1063/1.2980444

Low-temperature solution-processed wavelength-tunable perovskites for lasing
journal, March 2014

  • Xing, Guichuan; Mathews, Nripan; Lim, Swee Sien
  • Nature Materials, Vol. 13, Issue 5
  • DOI: 10.1038/nmat3911

Anomalous scattering and asymmetrical line shapes in Raman spectra of orthorhombic KNb O 3
journal, December 1976


Dynamic disorder in methylammoniumtrihalogenoplumbates (II) observed by millimeter‐wave spectroscopy
journal, December 1987

  • Poglitsch, A.; Weber, D.
  • The Journal of Chemical Physics, Vol. 87, Issue 11, p. 6373-6378
  • DOI: 10.1063/1.453467

Polarization dynamics and formation of polar nanoregions in relaxor ferroelectrics
journal, May 2006


Why Pb ( B , B ) O 3 perovskites disorder at lower temperatures than Ba ( B , B ) O 3 perovskites
journal, November 1999


Phase stability and transformations in the halide perovskite CsSnI 3
journal, April 2015

  • da Silva, E. Lora; Skelton, Jonathan M.; Parker, Stephen C.
  • Physical Review B, Vol. 91, Issue 14
  • DOI: 10.1103/PhysRevB.91.144107

Low Frequency Raman Scattering in BaTiO 3 Crystal
journal, January 2013


Methylammonium Rotational Dynamics in Lead Halide Perovskite by Classical Molecular Dynamics: The Role of Temperature
journal, July 2015

  • Mattoni, A.; Filippetti, A.; Saba, M. I.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 30
  • DOI: 10.1021/acs.jpcc.5b04283

Direct observation of relaxation modes in KNbO 3 and BaTiO 3 using inelastic light scattering
journal, July 1988


Dynamical Origin of the Rashba Effect in Organohalide Lead Perovskites: A Key to Suppressed Carrier Recombination in Perovskite Solar Cells?
journal, April 2016

  • Etienne, Thibaud; Mosconi, Edoardo; De Angelis, Filippo
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 9
  • DOI: 10.1021/acs.jpclett.6b00564

Unusual Angular Dependence of the Raman Response in Black Phosphorus
journal, February 2015

  • Ribeiro, Henrique B.; Pimenta, Marcos A.; de Matos, Christiano J. S.
  • ACS Nano, Vol. 9, Issue 4
  • DOI: 10.1021/acsnano.5b00698

The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells
journal, May 2015

  • Leguy, Aurelien M. A.; Frost, Jarvist Moore; McMahon, Andrew P.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8124

Raman scattering, central peak and phase transitions in AgNbO 3
journal, January 1986

  • Kania, A.; Roleder, K.; Kugel, G. E.
  • Journal of Physics C: Solid State Physics, Vol. 19, Issue 1
  • DOI: 10.1088/0022-3719/19/1/007

Computing vibrational spectra from ab initio molecular dynamics
journal, January 2013

  • Thomas, Martin; Brehm, Martin; Fligg, Reinhold
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 18
  • DOI: 10.1039/c3cp44302g

Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites
journal, January 2016


Collective Behavior of Molecular Dipoles in CH 3 NH 3 PbI 3
journal, August 2015

  • Goehry, C.; Nemnes, G. A.; Manolescu, A.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 34
  • DOI: 10.1021/acs.jpcc.5b05823

Structural and optical properties of methylammonium lead iodide across the tetragonal to cubic phase transition: implications for perovskite solar cells
journal, January 2016

  • Quarti, Claudio; Mosconi, Edoardo; Ball, James M.
  • Energy & Environmental Science, Vol. 9, Issue 1
  • DOI: 10.1039/C5EE02925B

Central Peak in PLZT Relaxors Studied by Micro-Brillouin Scattering
journal, January 2004


Low-frequency relaxation modes and structural disorder in KTa 1 x Nb x O 3
journal, February 1990


Polar fluctuations and first-order Raman scattering in highly polarizable KTaO 3 crystals with off-center Li and Nb ions
journal, March 1993


Molecular Dynamics Study of Dielectric Response in a Relaxor Ferroelectric
journal, November 2009


Central peaks and Brillouin scattering in uniaxial relaxor single crystals of Sr 0.61 Ba 0.39 Nb 2 O 6
journal, November 2002


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

Role of Dispersive Interactions in Determining Structural Properties of Organic–Inorganic Halide Perovskites: Insights from First-Principles Calculations
journal, July 2014

  • Egger, David A.; Kronik, Leeor
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 15
  • DOI: 10.1021/jz5012934

Real-Time Observation of Organic Cation Reorientation in Methylammonium Lead Iodide Perovskites
journal, August 2015

  • Bakulin, Artem A.; Selig, Oleg; Bakker, Huib J.
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 18
  • DOI: 10.1021/acs.jpclett.5b01555

Disordered Configuration of Methylammonium of CH 3 NH 3 PbBr 3 Determined by Single Crystal Neutron Diffractometry
journal, March 2007


    Works referencing / citing this record:

    Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides
    journal, July 2018

    • Benin, Bogdan M.; Dirin, Dmitry N.; Morad, Viktoriia
    • Angewandte Chemie International Edition, Vol. 57, Issue 35
    • DOI: 10.1002/anie.201806452

    Long-lived polarization memory in the electronic states of lead-halide perovskites from local structural dynamics
    journal, August 2018


    Relaxor-like and switchable dielectric behavior in a rare noncentrosymmetric 3D iodoargentate hybrid
    journal, January 2017

    • Yu, Shan-Shan; Liu, Shao-Xian; Zhu, Yi-Xiao
    • RSC Advances, Vol. 7, Issue 89
    • DOI: 10.1039/c7ra11033b

    Lead-free low-dimensional tin halide perovskites with functional organic spacers: breaking the charge-transport bottleneck
    journal, January 2019

    • Ju, Ming-Gang; Dai, Jun; Ma, Liang
    • Journal of Materials Chemistry A, Vol. 7, Issue 28
    • DOI: 10.1039/c9ta04486h

    Structural and thermodynamic limits of layer thickness in 2D halide perovskites
    journal, December 2018

    • Soe, Chan Myae Myae; Nagabhushana, G. P.; Shivaramaiah, Radha
    • Proceedings of the National Academy of Sciences, Vol. 116, Issue 1
    • DOI: 10.1073/pnas.1811006115

    Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
    journal, July 2017


    Large polarons in lead halide perovskites
    journal, August 2017

    • Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan
    • Science Advances, Vol. 3, Issue 8
    • DOI: 10.1126/sciadv.1701217

    Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation
    journal, October 2017

    • Miyata, Kiyoshi; Atallah, Timothy L.; Zhu, X. -Y.
    • Science Advances, Vol. 3, Issue 10
    • DOI: 10.1126/sciadv.1701469

    Extrinsic Green Photoluminescence from the Edges of 2D Cesium Lead Halides
    journal, June 2019


    Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds
    journal, January 2019

    • Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram
    • Dalton Transactions, Vol. 48, Issue 40
    • DOI: 10.1039/c9dt03469b

    When defects become ‘dynamic’: halide perovskites: a new window on materials?
    journal, January 2019

    • Rakita, Yevgeny; Lubomirsky, Igor; Cahen, David
    • Materials Horizons, Vol. 6, Issue 7
    • DOI: 10.1039/c9mh00606k

    Extrinsic Green Photoluminescence from the Edges of 2D Cesium Lead Halides
    journal, June 2019


    Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides
    journal, July 2018

    • Benin, Bogdan M.; Dirin, Dmitry N.; Morad, Viktoriia
    • Angewandte Chemie, Vol. 130, Issue 35
    • DOI: 10.1002/ange.201806452

    Long-lived polarization memory in the electronic states of lead-halide perovskites from local structural dynamics
    journal, August 2018


    Relaxor-like and switchable dielectric behavior in a rare noncentrosymmetric 3D iodoargentate hybrid
    journal, January 2017

    • Yu, Shan-Shan; Liu, Shao-Xian; Zhu, Yi-Xiao
    • RSC Advances, Vol. 7, Issue 89
    • DOI: 10.1039/c7ra11033b

    Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds
    journal, January 2019

    • Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram
    • Dalton Transactions, Vol. 48, Issue 40
    • DOI: 10.1039/c9dt03469b

    When defects become ‘dynamic’: halide perovskites: a new window on materials?
    journal, January 2019

    • Rakita, Yevgeny; Lubomirsky, Igor; Cahen, David
    • Materials Horizons, Vol. 6, Issue 7
    • DOI: 10.1039/c9mh00606k

    Lead-free low-dimensional tin halide perovskites with functional organic spacers: breaking the charge-transport bottleneck
    journal, January 2019

    • Ju, Ming-Gang; Dai, Jun; Ma, Liang
    • Journal of Materials Chemistry A, Vol. 7, Issue 28
    • DOI: 10.1039/c9ta04486h

    Structural and thermodynamic limits of layer thickness in 2D halide perovskites
    journal, December 2018

    • Soe, Chan Myae Myae; Nagabhushana, G. P.; Shivaramaiah, Radha
    • Proceedings of the National Academy of Sciences, Vol. 116, Issue 1
    • DOI: 10.1073/pnas.1811006115

    Octahedral tilting instabilities in inorganic halide perovskites
    journal, February 2018


    Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation
    text, January 2017

    • Miyata, Kiyoshi; Atallah, Timothy Luke; Zhu, Xiaoyang
    • Columbia University
    • DOI: 10.7916/d8281kg3

    Large polarons in lead halide perovskites
    text, January 2017

    • Miyata, Kiyoshi; Trinh, M. Tuan; Joshi, Prakriti Pradhan
    • Columbia University
    • DOI: 10.7916/d89s32wc

    Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
    text, January 2017

    • Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe
    • Columbia University
    • DOI: 10.7916/d8sr0bbc

    Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides
    journal, July 2018

    • Benin, Bogdan M.; Dirin, Dmitry N.; Morad, Viktoriia
    • Angewandte Chemie International Edition, Vol. 57, Issue 35
    • DOI: 10.1002/anie.201806452

    Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
    journal, July 2017


    Large polarons in lead halide perovskites
    journal, August 2017

    • Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan
    • Science Advances, Vol. 3, Issue 8
    • DOI: 10.1126/sciadv.1701217

    Dynamic Screening and Slow Cooling of Hot Carriers in Lead Halide Perovskites
    journal, September 2018

    • Joshi, Prakriti Pradhan; Maehrlein, Sebastian F.; Zhu, Xiaoyang
    • Advanced Materials, Vol. 31, Issue 47
    • DOI: 10.1002/adma.201803054

    Properties of Excitons and Photogenerated Charge Carriers in Metal Halide Perovskites
    journal, September 2018


    Room‐Temperature Stimulated Emission and Lasing in Recrystallized Cesium Lead Bromide Perovskite Thin Films
    journal, August 2019

    • Pourdavoud, Neda; Haeger, Tobias; Mayer, Andre
    • Advanced Materials, Vol. 31, Issue 39
    • DOI: 10.1002/adma.201903717

    Understanding the Instability of the Halide Perovskite CsPbI 3 through Temperature‐Dependent Structural Analysis
    journal, July 2020

    • Straus, Daniel B.; Guo, Shu; Abeykoon, AM Milinda
    • Advanced Materials, Vol. 32, Issue 32
    • DOI: 10.1002/adma.202001069

    Free Carrier, Exciton, and Phonon Dynamics in Lead‐Halide Perovskites Studied with Ultrafast Terahertz Spectroscopy
    journal, August 2019


    Dielectric Response: Answer to Many Questions in the Methylammonium Lead Halide Solar Cell Absorbers
    journal, May 2017

    • Anusca, Irina; Balčiūnas, Sergejus; Gemeiner, Pascale
    • Advanced Energy Materials, Vol. 7, Issue 19
    • DOI: 10.1002/aenm.201700600

    Vibrational Coupling between Organic and Inorganic Sublattices of Hybrid Perovskites
    journal, September 2018

    • Grechko, Maksim; Bretschneider, Simon A.; Vietze, Laura
    • Angewandte Chemie International Edition, Vol. 57, Issue 41
    • DOI: 10.1002/anie.201806676

    Unveiling the Photo‐ and Thermal‐Stability of Cesium Lead Halide Perovskite Nanocrystals
    journal, October 2019

    • Boote, Brett W.; Andaraarachchi, Himashi P.; Rosales, Bryan A.
    • ChemPhysChem, Vol. 20, Issue 20
    • DOI: 10.1002/cphc.201900432

    Microcavity enhancement of low‐frequency Raman scattering from a CsPbI 3 thin film
    journal, July 2019

    • Uliel, Tal Ben; Gouda, Laxman; Aviv, Hagit
    • Journal of Raman Spectroscopy, Vol. 50, Issue 11
    • DOI: 10.1002/jrs.5715

    High spectral resolution of gamma-rays at room temperature by perovskite CsPbBr3 single crystals
    journal, April 2018


    Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals
    journal, May 2018


    Probing femtosecond lattice displacement upon photo-carrier generation in lead halide perovskite
    journal, May 2018

    • Batignani, Giovanni; Fumero, Giuseppe; Srimath Kandada, Ajay Ram
    • Nature Communications, Vol. 9, Issue 1
    • DOI: 10.1038/s41467-018-04367-6

    Cross-plane coherent acoustic phonons in two-dimensional organic-inorganic hybrid perovskites
    journal, May 2018


    Indirect tail states formation by thermal-induced polar fluctuations in halide perovskites
    journal, January 2019


    Infrared-pump electronic-probe of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices
    journal, January 2019


    Dynamic emission Stokes shift and liquid-like dielectric solvation of band edge carriers in lead-halide perovskites
    journal, March 2019


    Carrier lifetime enhancement in halide perovskite via remote epitaxy
    journal, September 2019


    Two-dimensional electronic spectroscopy reveals liquid-like lineshape dynamics in CsPbI3 perovskite nanocrystals
    journal, October 2019


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


    The ground exciton state of formamidinium lead bromide perovskite nanocrystals is a singlet dark state
    journal, May 2019

    • Tamarat, Philippe; Bodnarchuk, Maryna I.; Trebbia, Jean-Baptiste
    • Nature Materials, Vol. 18, Issue 7
    • DOI: 10.1038/s41563-019-0364-x

    Reversible 3D laser printing of perovskite quantum dots inside a transparent medium
    journal, November 2019


    Low-temperature benchtop-synthesis of all-inorganic perovskite nanowires
    journal, January 2017

    • Kostopoulou, A.; Sygletou, M.; Brintakis, K.
    • Nanoscale, Vol. 9, Issue 46
    • DOI: 10.1039/c7nr06404g

    Chemical tuning of dynamic cation off-centering in the cubic phases of hybrid tin and lead halide perovskites
    journal, January 2017

    • Laurita, Geneva; Fabini, Douglas H.; Stoumpos, Constantinos C.
    • Chemical Science, Vol. 8, Issue 8
    • DOI: 10.1039/c7sc01429e

    Effects of thermal disorder on the electronic structure of halide perovskites: insights from MD simulations
    journal, January 2018

    • Mladenović, Marko; Vukmirović, Nenad
    • Physical Chemistry Chemical Physics, Vol. 20, Issue 40
    • DOI: 10.1039/c8cp03726d

    Large polaron formation and its effect on electron transport in hybrid perovskites
    journal, January 2019

    • Zheng, Fan; Wang, Lin-wang
    • Energy & Environmental Science, Vol. 12, Issue 4
    • DOI: 10.1039/c8ee03369b

    The effect of ionic composition on acoustic phonon speeds in hybrid perovskites from Brillouin spectroscopy and density functional theory
    journal, January 2018

    • Kabakova, Irina V.; Azuri, Ido; Chen, Zhuoying
    • Journal of Materials Chemistry C, Vol. 6, Issue 15
    • DOI: 10.1039/c8tc00875b

    Bond valences and anharmonicity in vacancy-ordered double perovskite halides
    journal, January 2018

    • Maughan, Annalise E.; Paecklar, Arnold A.; Neilson, James R.
    • Journal of Materials Chemistry C, Vol. 6, Issue 44
    • DOI: 10.1039/c8tc03527j

    Hybrid light emitting diodes based on stable, high brightness all-inorganic CsPbI 3 perovskite nanocrystals and InGaN
    journal, January 2019

    • Zhang, Chengxi; Turyanska, Lyudmila; Cao, Haicheng
    • Nanoscale, Vol. 11, Issue 28
    • DOI: 10.1039/c9nr03707a

    Elucidation of dipolar dynamics and the nature of structural phases in the [(CH 3 ) 2 NH 2 ][Zn(HCOO) 3 ] hybrid perovskite framework
    journal, January 2019

    • Šimėnas, Mantas; Balčiūnas, Sergejus; Ciupa, Aneta
    • Journal of Materials Chemistry C, Vol. 7, Issue 22
    • DOI: 10.1039/c9tc01275c

    Exciton-phonon coupling in a CsPbBr 3 single nanocrystal
    journal, February 2018

    • Ramade, Julien; Andriambariarijaona, Léon Marcel; Steinmetz, Violette
    • Applied Physics Letters, Vol. 112, Issue 7
    • DOI: 10.1063/1.5018413

    Vibrational spectroscopy via stimulated Raman induced Kerr lensing
    journal, September 2018

    • Raanan, Dekel; Lüttig, Julian; Silberberg, Yaron
    • APL Photonics, Vol. 3, Issue 9
    • DOI: 10.1063/1.5029809

    Revealing lattice and photocarrier dynamics of high-quality MAPbBr 3 single crystals by far infrared reflection and surface photovoltage spectroscopy
    journal, January 2019

    • Wang, Jian; Motaharifar, Elaheh; Murthy, Lakshmi N. S.
    • Journal of Applied Physics, Vol. 125, Issue 2
    • DOI: 10.1063/1.5072794

    Photophysics of lead-free tin halide perovskite films and solar cells
    journal, August 2019

    • Handa, Taketo; Wakamiya, Atsushi; Kanemitsu, Yoshihiko
    • APL Materials, Vol. 7, Issue 8
    • DOI: 10.1063/1.5109704

    In praise and in search of highly-polarizable semiconductors: Technological promise and discovery strategies
    journal, October 2019

    • Jaramillo, R.; Ravichandran, J.
    • APL Materials, Vol. 7, Issue 10
    • DOI: 10.1063/1.5124795

    Helicity-dependent terahertz photocurrent and phonon dynamics in hybrid metal halide perovskites
    journal, December 2019

    • Cheng, D.; Liu, Z.; Luo, L.
    • The Journal of Chemical Physics, Vol. 151, Issue 24
    • DOI: 10.1063/1.5127767

    Understanding size dependence of phase stability and band gap in CsPbI 3 perovskite nanocrystals
    journal, January 2020

    • Yang, Ruo Xi; Tan, Liang Z.
    • The Journal of Chemical Physics, Vol. 152, Issue 3
    • DOI: 10.1063/1.5128016

    Coherent exciton-phonon coupling in perovskite semiconductor nanocrystals studied by two-dimensional electronic spectroscopy
    journal, December 2019

    • Zhao, Wei; Qin, Zhengyuan; Zhang, Chunfeng
    • Applied Physics Letters, Vol. 115, Issue 24
    • DOI: 10.1063/1.5130636

    Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites
    journal, January 2020

    • Yang, Ruo Xi; Skelton, Jonathan M.; da Silva, Estelina L.
    • The Journal of Chemical Physics, Vol. 152, Issue 2
    • DOI: 10.1063/1.5131575

    Origin of long lifetime of band-edge charge carriers in organic–inorganic lead iodide perovskites
    journal, July 2017

    • Chen, Tianran; Chen, Wei-Liang; Foley, Benjamin J.
    • Proceedings of the National Academy of Sciences, Vol. 114, Issue 29
    • DOI: 10.1073/pnas.1704421114

    Structural fluctuations cause spin-split states in tetragonal (CH 3 NH 3 )PbI 3 as evidenced by the circular photogalvanic effect
    journal, September 2018

    • Niesner, Daniel; Hauck, Martin; Shrestha, Shreetu
    • Proceedings of the National Academy of Sciences, Vol. 115, Issue 38
    • DOI: 10.1073/pnas.1805422115

    Modeling the contribution of point defects to the Raman spectrum of crystalline materials
    journal, July 2019

    • Roma, Guido
    • Modelling and Simulation in Materials Science and Engineering, Vol. 27, Issue 7
    • DOI: 10.1088/1361-651x/ab2962

    Ultrafast THz Probe of Photoinduced Polarons in Lead-Halide Perovskites
    journal, April 2019


    Interplay between organic cations and inorganic framework and incommensurability in hybrid lead-halide perovskite CH 3 NH 3 PbBr 3
    journal, September 2017


    Common acoustic phonon lifetimes in inorganic and hybrid lead halide perovskites
    journal, September 2019


    Towards predictive band gaps for halide perovskites: Lessons from one-shot and eigenvalue self-consistent G W
    journal, October 2019


    Impact of organic molecule rotation on the optoelectronic properties of hybrid halide perovskites
    journal, December 2019


    Decoupled molecular and inorganic framework dynamics in CH 3 NH 3 PbCl 3
    journal, December 2019


    Ultrafast correlated charge and lattice motion in a hybrid metal halide perovskite
    journal, May 2019

    • Lan, Yang; Dringoli, Benjamin J.; Valverde-Chávez, David A.
    • Science Advances, Vol. 5, Issue 5
    • DOI: 10.1126/sciadv.aaw5558

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