Domain topology and domain switching kinetics in a hybrid improper ferroelectric

Charged polar interfaces such as charged ferroelectric walls or heterostructured interfaces of ZnO/(Zn,Mg)O and LaAlO3/SrTiO3, across which the normal component of electric polarization changes suddenly, can host large two-dimensional conduction. Charged ferroelectric walls, which are energetically unfavourable in general, were found to be mysteriously abundant in hybrid improper ferroelectric (Ca,Sr)3Ti2O7 crystals. From the exploration of antiphase boundaries in bilayer-perovskites, here we discover that each of four polarization-direction states is degenerate with two antiphase domains, and these eight structural variants form a Z4 × Z2 domain structure with Z3 vortices and five distinct types of domain walls, whose topology is directly relevant to the presence of abundant charged walls. We also discover a zipper-like nature of antiphase boundaries, which are the reversible creation/annihilation centres of pairs of two types of ferroelectric walls (and also Z3-vortex pairs) in 90° and 180° polarization switching. Our results demonstrate the unexpectedly rich nature of hybrid improper ferroelectricity.

[1]  T. White,et al.  Structure determinations for Ca3Ti2O7, Ca4Ti3O10, Ca3.6Sr0.4Ti3O10 and a refinement of Sr3Ti2O7 , 1991 .

[2]  L. Eng,et al.  Conducting Domain Walls in Lithium Niobate Single Crystals , 2012 .

[3]  A. Tagantsev,et al.  Free-electron gas at charged domain walls in insulating BaTiO3 , 2013, Nature Communications.

[4]  C. Fennie,et al.  Hybrid improper ferroelectricity: a mechanism for controllable polarization-magnetization coupling. , 2011, Physical review letters.

[5]  S. Cheong,et al.  Negative thermal expansion in hybrid improper ferroelectric Ruddlesden-Popper perovskites by symmetry trapping. , 2015, Physical review letters.

[6]  Hong,et al.  Effect of antiphase boundaries on the electronic structure and bonding character of intermetallic systems: NiAl. , 1991, Physical review. B, Condensed matter.

[7]  S. Cheong,et al.  Duality of topological defects in hexagonal manganites. , 2014, Physical review letters.

[8]  David P. Kreil,et al.  Corrigendum: A doublecortin containing microtubule-associated protein is implicated in mechanotransduction in Drosophila sensory cilia , 2014, Nature Communications.

[9]  A. M. Glazer,et al.  The classification of tilted octahedra in perovskites , 1972 .

[10]  Color theorems, chiral domain topology, and magnetic properties of Fe(x)TaS2. , 2014, Journal of the American Chemical Society.

[11]  J. A. Powell,et al.  Antiphase boundaries in epitaxially grown β‐SiC , 1987 .

[12]  A. B. Harris Symmetry analysis for the Ruddlesden-Popper systems Ca 3 Mn 2 O 7 and Ca 3 Ti 2 O 7 , 2011, 1101.2593.

[13]  Ho Won Jang,et al.  Tailoring a two-dimensional electron gas at the LaAlO3/SrTiO3 (001) interface by epitaxial strain , 2010, Proceedings of the National Academy of Sciences.

[14]  P. Mandal,et al.  Tilt engineering of spontaneous polarization and magnetization above 300 K in a bulk layered perovskite , 2015, Science.

[15]  Jie Shen,et al.  Applications of semi-implicit Fourier-spectral method to phase field equations , 1998 .

[16]  Akira Ohtomo,et al.  A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface , 2004, Nature.

[17]  Marin Alexe,et al.  Atomic-scale study of electric dipoles near charged and uncharged domain walls in ferroelectric films. , 2008, Nature materials.

[18]  T. Claeson,et al.  Effect of oxygen vacancies in the SrTiO3 substrate on the electrical properties of the LaAlO3/SrTiO3 interface , 2007 .

[19]  G. Kresse,et al.  Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .

[20]  J. Cazaux Correlations between ionization radiation damage and charging effects in transmission electron microscopy , 1995 .

[21]  Long-qing Chen,et al.  Orientations of Low-Energy Domain Walls in Perovskites with Oxygen Octahedral Tilts , 2014 .

[22]  Weida Wu,et al.  Background-free piezoresponse force microscopy for quantitative measurements , 2014 .

[23]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[24]  Paul Saxe,et al.  Symmetry-general least-squares extraction of elastic data for strained materials from ab initio calculations of stress , 2002 .

[25]  G. Scuseria,et al.  Restoring the density-gradient expansion for exchange in solids and surfaces. , 2007, Physical review letters.

[26]  Masashi Kawasaki,et al.  Quantum Hall Effect in Polar Oxide Heterostructures , 2007, Science.

[27]  James F. Scott,et al.  Domain wall nanoelectronics , 2012 .

[28]  Alan J. Heeger,et al.  Solitons in conducting polymers , 1988 .

[29]  K. McKenna,et al.  Atomic-scale structure and properties of highly stable antiphase boundary defects in Fe3O4 , 2014, Nature Communications.

[30]  C. Fennie,et al.  Turning ABO3 Antiferroelectrics into Ferroelectrics: Design Rules for Practical Rotation‐Driven Ferroelectricity in Double Perovskites and A3B2O7 Ruddlesden‐Popper Compounds , 2012, 1205.5526.

[31]  Sergei V. Kalinin,et al.  Conduction at domain walls in oxide multiferroics. , 2009, Nature materials.

[32]  A. Tagantsev,et al.  Head-to-head and tail-to-tail 180 ° domain walls in an isolated ferroelectric , 2011, 1103.1571.

[33]  T. Matsuda,et al.  Electron Holography Studies on Narrow Magnetic Domain Walls Observed in a Heusler Alloy Ni50Mn25Al12.5Ga12.5 , 2012 .

[34]  J. Cazaux,et al.  Mechanisms of charging in electron spectroscopy , 1999 .

[35]  Long-Qing Chen Phase-Field Models for Microstructure Evolution , 2002 .

[36]  S. Cheong,et al.  Experimental demonstration of hybrid improper ferroelectricity and the presence of abundant charged walls in (Ca,Sr)3Ti2O7 crystals. , 2014, Nature materials.

[37]  A. Tagantsev,et al.  Ferroelectric translational antiphase boundaries in nonpolar materials , 2014, Nature Communications.

[38]  S. Cheong,et al.  Conduction of topologically protected charged ferroelectric domain walls. , 2011, Physical review letters.

[39]  G. Kresse,et al.  From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .

[40]  Blöchl,et al.  Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.

[41]  W. Zhang,et al.  Hybrid improper ferroelectricity in Ruddlesden-Popper Ca3(Ti,Mn)2O7 ceramics , 2015 .

[42]  Michiyoshi Tanaka,et al.  Electron Optical Studies of Barium Titanate Single Crystal Films , 1964 .

[43]  Oxide interfaces: watch out for the lack of oxygen. , 2007, Nature materials.

[44]  S. Cheong,et al.  Insulating interlocked ferroelectric and structural antiphase domain walls in multiferroic YMnO3. , 2010, Nature materials.

[45]  A. Tagantsev,et al.  Polarization charge as a reconfigurable quasi-dopant in ferroelectric thin films. , 2015, Nature nanotechnology.

[46]  J. Íñiguez,et al.  Hybrid Improper Ferroelectricity in Multiferroic Superlattices: Finite‐Temperature Properties and Electric‐Field‐Driven Switching of Polarization and Magnetization , 2015 .

[47]  Philippe Ghosez,et al.  Multiferroics: Coupling of three lattice instabilities. , 2011, Nature materials.