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Title: Alignment of Polarization against an Electric Field in van der Waals Ferroelectrics

Journal Article · · Physical Review Applied
ORCiD logo [1];  [2]; ORCiD logo [3];  [3]; ORCiD logo [4]; ORCiD logo [4];  [2]; ORCiD logo [1];  [4]; ORCiD logo [5]; ORCiD logo [1]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
  2. Vanderbilt Univ., Nashville, TN (United States). Dept. of Physics and Astronomy; Chinese Academy of Sciences (CAS), Beijing (China). Univ. of Chinese Academy of Sciences and Inst. of Physics
  3. Vanderbilt Univ., Nashville, TN (United States). Dept. of Physics and Astronomy
  4. Purdue Univ., West Lafayette, IN (United States). School of Electrical and Computer Engineering and Birck Nanotechnology Center
  5. Vanderbilt Univ., Nashville, TN (United States). Dept. of Physics and Astronomy and Dept. of Electrical Engineering and Computer Science

Polarization in ferroelectrics can be switched in the direction of an applied electric field by dipole reorientation, enabling numerous applications and fundamental phenomena. In this study, we demonstrate that, in the van der Waals (vdW) layered ferrielectric Cu In P 2 S 6 , a unique mechanism exists where polarization aligns against the direction of the applied electric field, seemingly in violation of the fundamental properties of a dipolar solid. The mechanism is the result of the electric field driving the Cu atoms unidirectionally across the vdW gaps, which is distinctively different from dipole reorientation. The crossing of Cu atoms is the fundamental process of ionic conductivity, yet it is compatible with the existence of polarization. These phenomena are confirmed by nanoscale imaging and spectroscopy of ferroelectric capacitors, coupled with dynamic density-functional-theory simulations. The symbiotic relationship of ferroelectric and ionic phenomena enables alternative approaches to control polarization and necessitates a change in perspective on nucleation, domain-wall dynamics, and other ferroelectric and electromechanical characteristics in material systems where ionic and ferroelectric phenomena manifest.

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
Grant/Contract Number:
AC05-00OR22725; FG02-09ER46554
OSTI ID:
1649434
Journal Information:
Physical Review Applied, Vol. 13, Issue 6; ISSN 2331-7019
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 23 works
Citation information provided by
Web of Science

References (57)

Generalized Gradient Approximation Made Simple journal October 1996
Data encoding based on the shape of the ferroelectric domains produced by using a scanning probe microscope tip journal January 2015
Projector augmented-wave method journal December 1994
Applications of Modern Ferroelectrics journal February 2007
Spatial inhomogeneity of imprint and switching behavior in ferroelectric capacitors journal May 2003
Piezoresponse Force Microscopy Studies of Switching Behavior of Ferroelectric Capacitors on a 100-ns Time Scale journal March 2008
Locally Controlled Cu-Ion Transport in Layered Ferroelectric CuInP 2 S 6 journal July 2018
Giant negative electrostriction and dielectric tunability in a van der Waals layered ferroelectric journal February 2019
Symmetry Breaking and Electrical Frustration during Tip-Induced Polarization Switching in the Nonpolar Cut of Lithium Niobate Single Crystals journal December 2014
Learning through ferroelectric domain dynamics in solid-state synapses journal April 2017
Physical reality of the Preisach model for organic ferroelectrics journal October 2018
Room-temperature ferroelectricity in CuInP2S6 ultrathin flakes journal August 2016
Origin of giant negative piezoelectricity in a layered van der Waals ferroelectric journal April 2019
Tunable quadruple-well ferroelectric van der Waals crystals journal November 2019
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Periodic boundary conditions in ab initio calculations journal February 1995
Domain Nanotechnology in Ferroelectrics: Nano-Domain Engineering in Lithium Niobate Crystals journal November 2008
Ferroelectric, conductive, and dielectric properties of KTiOPO 4 at low temperature journal September 2002
Micromagnetic and Preisach analysis of the First Order Reversal Curves (FORC) diagram journal May 2003
Structural Disorder and Ionic Conductivity in LiVO3: A Neutron Powder Diffraction Study from 340 to 890 K journal February 2001
High temperature phase transitions and proton conductivity in some kdp-family crystals journal December 1989
A climbing image nudged elastic band method for finding saddle points and minimum energy paths journal December 2000
Pressure-induced switching in ferroelectrics: Phase-field modeling, electrochemistry, flexoelectric effect, and bulk vacancy dynamics journal November 2017
High oxide ion conductivity in layer-structured Bi 4 Ti 3 O 12 -based ferroelectric ceramics journal January 2019
CuInP 2 S 6 Room Temperature Layered Ferroelectric journal May 2015
Mechanical stress-induced switching kinetics of ferroelectric thin films at the nanoscale journal January 2017
Effect of the damping function in dispersion corrected density functional theory journal March 2011
Anomalous polarization switching and permanent retention in a ferroelectric ionic conductor journal January 2020
A comparison of Ag- and proton-conducting ferroelectrics journal October 1999
Metal Thio- and Selenophosphates as Multifunctional van der Waals Layered Materials journal August 2017
Raman spectroscopy of structural phase transitions in Ag 26 I 18 W 4 O 16 journal December 1978
First-order reversal curves diagrams for the characterization of ferroelectric switching journal November 2003
First-Order Reversal Curve Probing of Spatially Resolved Polarization Switching Dynamics in Ferroelectric Nanocapacitors journal December 2011
Mechanical Writing of Ferroelectric Polarization journal April 2012
Ferroelectric Field Effect Transistors for Memory Applications journal April 2010
Dielectric and ultrasonic investigation of phase transition in cuinp 2 s 6 crystals journal April 2004
Ab initio molecular dynamics for open-shell transition metals journal November 1993
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Quantitative Decoding of Interactions in Tunable Nanomagnet Arrays Using First Order Reversal Curves journal February 2014
Ferroelectric Memories journal December 1989
A density-functional model of the dispersion interaction journal October 2005
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Ionic conductivity in ferroic CuInP 2 S 6 and CuCrP 2 S 6 journal May 1997
Ferroelectric thin films: Review of materials, properties, and applications journal September 2006
Water printing of ferroelectric polarization journal September 2018
Pressure-induced rotation of spontaneous polarization in monoclinic and triclinic PbZr 0.52 Ti 0.48 O 3 journal January 2005
Ferrielectric ordering in lamellar CuInP 2 S 6 journal November 1997
Room-Temperature Electrocaloric Effect in Layered Ferroelectric CuInP 2 S 6 for Solid-State Refrigeration journal July 2019
Ferroelectric phase transition in the superionic conductor Ag 26 I 18 W 4 O 16 journal February 1980
Surface Chemistry Controls Anomalous Ferroelectric Behavior in Lithium Niobate journal July 2018
Reversible work transition state theory: application to dissociative adsorption of hydrogen journal February 1995
Physics of thin-film ferroelectric oxides journal October 2005
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111) journal December 1992
Size-effect in layered ferrielectric CuInP2S6 journal October 2016
Order–Disorder Transitions and Superionic Conductivity in the Sodium nido -Undeca(carba)borates journal November 2017
Ionic field effect and memristive phenomena in single-point ferroelectric domain switching journal July 2014
Screening and retardation effects on 180 ° -domain wall motion in ferroelectrics: Wall velocity and nonlinear dynamics due to polarization-screening charge interactions journal December 2008