2014 Fundamental Physics of Ferroelectrics and Related Materials Program
Carnegie Institution of Washington
1530 P St. NW, Washington DC (please use P Street entrance)

-- SUNDAY – JANUARY 26TH, 2014 –

RECEPTION – 17:00 to 19:00

-- MONDAY – JANUARY 27TH, 2014 --

Antiferroelectrics - 08:00 to 10:00
08:00    J Hlinka - Unfolding phonon dispersion of antiferroelectric PbZrO3
08:20    P-E Janolin - The nature of the intermediate phase in PbZrO3
08:40    A Bussmann-Holder - Universal precursor effects in ferro-, antiferro-, and incipient ferroelectric perovskite oxides
09:00    K Roleder - In what the antiferroelectric PbZrO3 and PbHfO3 crystals are similar?
09:20    S Reyes-Lillo - Antiferroelectricity in ZrO2 from first principles
09:40    H Wu - Study of a new antiferroelectric PbZrO3 - Pb(Zn1/2W1/2)O3 solid solution

MORNING COFFEE BREAK – 10:00 to 10:30

BiFeO3 and EuO Thin Films - 10:30 to 12:00
10:30    M Bibes - INVITED - Multifunctional devices based on BiFeO3 thin films
11:00    I Takeuchi - Nano-second time resolved piezoresponse at the MPB in rare-earth substituted BiFeO3 thin films determined by time-dependent in-situ synchrotron diffraction
11:20    H Dixit - First-principles investigation of the structural, electronic and magnetic properties of the phases observed in highly strained BiFeO3 films
11:40    V Goian - Strain engineering of EuO thin films

LUNCH (on your own) – 12:00 to 13:30

Magnetoelectrics - 13:30 to 15:00
13:30    E Bousquet - INVITED - Noncollinear magnetism in multiferroic perovskites
14:00    Y Yang - Predication of a novel magnetoelectric switching mechanism in multiferroics
14:20    Y Geng - Direct visualization of magnetoelectric domains in hexagonal ErMnO3
14:40    S Artyukhin - Colossal magnetoelectricity and magnetoelectric switching in R3TeO6 hexagonal tellurides


Tuning Ferroic Order in Superlattices- 15:30 to 17:00
15:30    CJ Fennie - INVITED - Dimensional control of emergent ferroic order:  New physics with a technologically relevant surprise
16:00    ND Orloff - INVITED - Exploiting dimensionality and defect mitigation to create tunable microwave dielectrics
16:30    JM Rondinelli - INVITED - Versatile abilities of lattice instabilities:  Ferri-to-ferroelectric transitions across isostructural phase boundaries

SHORT BREAK - 17:00 to 17:15

Domains (I) - 17:15 to 18:15
17:15    D Damjanovic - INVITED - Observation of macroscopic symmetry breaking in ferroelectric materials
17:45    S Kalinin - INVITED - Intermittency, quasiperiodicity, and chaos during ferroelectric domain switching

MONDAY BANQUET – 19:30 to 21:30

-- TUESDAY – JANUARY 28TH, 2014 --

New Ferroelectrics - 08:00 to 10:10
08:00    N Benedek - INVITED - Origin of ferroelectricity in a family of polar oxides:  The Dion-Jacobson phases
08:30    KF Garrity - Hyperferroelectrics:  proper ferroelectrics with persistent polarization
08:50    J Varignon - Interplay between structural, electronic and magnetic degrees of freedom in vanadates
09:10    H Taniguchi - Ferroelectric phase transition driven by twisting of silicate tetrahedral chains
09:30    S Poddar - Designing novel organic ferroelectric crystals
09:50    AC Garcia-Castro - Geometric ferroelectricity in fluoro-perovskites

MORNING COFFEE BREAK – 10:10 to 10:40

Interfaces and Interfacial Effects - 10:40 to 12:00
10:40    N Barrett - Polarization sensitive surface band structure of doped BaTiO3 (001)
11:00    JE Rault - Dynamical electronic response to polarization switching at a metal/ferroelectric interface
11:20    AI Lebedev - Band offsets in heterojunctions formed between cubic perovskite oxides
11:40    J Zhao - Landau model of hybrid improper ferroelectricity in PbTiO3/SrTiO3 superlattices

LUNCH (on your own) – 12:00 to 13:30

Optical Properties and Electrocaloric Effects - 13:30 to 15:10
13:30    A Rappe - INVITED - Ferroelectric Oxides for Visible-Light Photovoltaics and Engineering of Shift Current
14:00    I Keszmarki - INVITED - Unidirectional optical properties of multiferroics
14:30    M Marathe - First principles study of the electrocaloric effect in strained BaTiO3
14:50    T Nishimatsu - Direct molecular dynamics simulation of electrocaloric effect in BaTiO3 and PbTiO3


Domains (II) - 15:40 to 17:00
15:40    E Salje - INVITED - Secrets of domains walls in ferroic / acentric and triclinic SrTiO3
16:10    N Setter - INVITED - On structure and functions of ferroic domain walls
16:40    H Yokota - Direct evidence of polar nature of ferroelastic twin boundaries in CaTiO3 obtained by second harmonic generation microscope

SHORT BREAK - 17:00 to 17:15

Domains (III) - 17:15 to 18:15

17:15    ZG Ye - Random-field instability of the ferroelectric state in PZT crystals
17:35    R Maier - Defect complex dynamics in ferroelectrics measured using in-situ EPR techniques
17:55    Q Zhang - Thermal fluctuations and field-induced pinning of serpentine striped domains in a PbTiO3/SrTiO3 superlattice


-- WEDNESDAY – JANUARY 29TH, 2014 --

Relaxors -  08:00 to 10:00
08:00    Y Nahas - Local symmetry approach for disordered ferroelectrics:  Emergence of relaxor state
08:20    L Bellaiche - Properties of bulks and films made of Ba(Zr,Ti)O3 relaxors
08:40    S Vakhrushev - Pretransitional diffuse scattering in simple and complex perovskites
09:00    RE Cohen - Effects of Mn on electromechanical properties of relaxor ferroelectrics
09:20    J Toulouse - Characteristic resonances in relaxor ferroelectrics and their origin:  The particular example of K1-xLixTaO3 (KLT)
09:40    GG Guzman-Verri - Paraelectric and ferroelectric states in a model for relaxor ferroelectrics

MORNING COFFEE BREAK – 10:00 to 10:30

Advances in Theory and Simulation - 10:30 to 12:20
10:30    I Nauvmov - INVITED - Polarization lattice in solids and nanotubes and its manifestation in piezoelectric properties
11:00    V Krayzman - Local atomic displacements in BaTiO3-based ferroelectrics:  Reverse Monte Carlo multiple-technique refinements and molecular dynamics simulations
11:20    A Roytburd -  Intermediate state at ferroelectric and ferroelastic phase transitions in epitaxial films
11:40    H Krakauer - Auxiliar-field quantum Monte Carlo calculations in solids
12:00    S Liu - Exploring the dynamics of ferroelectric materials via bond-valence based molecular dynamics simulations



Poster boards (6 feet wide by 4 feet high, or 1.8 m by 1.2 m) will be provided.  All posters should remain
up from Monday morning through the Tuesday evening poster session.

1. A Bussman-Holder -  EuTiO3: an almost multiferroic material with strong spin-lattice coupling  
2. J He -  Lattice dynamics and phase transitions in A-site-ordered manganites RBaMn2O6 (R=Y and rare earth elements) from first-principles calculations 
3. CH Kim -  Strain induced magnetization reversal in Ba2IrO4 by modifying orbital moments
4. S Prokhorenko -  Random fields and local order in (BaTiO3)1-x(BiFeO3)x solid solutions  
5. CS Xu -  Effect of chemical and hydrostatic pressures on structural and magnetic properties of Hexagonal rare-earth ferrites 
6. M Ye and D. Vanderbilt -  First-principles study of dynamical magnetic charges  
7. N Bristowe -  Designing enhanced polarization in hybrid-improper ferroelectric oxide superlattices from first principles 
8. J Young -  Improper ferroelectricity in rhombohedral (A,A')B2O6 perovskite oxide superlattices  
9. J Zhao -  Lattice dynamical properties and interatomic force constants of perovskite oxide superlattices of increasing layer thicknesses 
10. Q Zhou -  First-principles modeling of piezoelectric response of perovskite superlattices: the case of BaTiO3/CaTiO3
11. Y Zhou -  Determination of ground-state structure of (PbTiO3)2(SrTiO3)2 from first principles
12. Y Gu -  Non-Ising character of a ferroelectric wall arises from a flexoelectric effect 
13. K He -  Staining induced 90° domain wall motion in Pb(Zr0.2Ti0.8)O3 heteroepitaxial thin films 
14. M Ivanov -  Size effect and contribution of domain walls to dielectric properties of BSPT ceramics 
15. S Lei -  Enhanced piezoelectric properties of monoclinic BaTiO3 
16. K Shapovalov -  Elastic coupling between non-ferroelastic domain walls in ferroelectric films
17. H Akamatsu -  Inversion symmetry breaking by oxygen octahedral rotations in Ruddlesden-Popper phase NaRETiO4 
18. I Bodnar -  Orientation polarization in the ferroelectrical KTP
19. YM Byun -  Stereochemical activity of lone-pair electrons in ABX3 heavy-element halides
20. A Dziaugys -  Nonequilibrium effects and polaronic relaxation in Sn(Pb)2P2S(Se)6 ferroelectrics
21. A Dziaugys -  Ferroelectric ordering and metallic phases in monoclinic and triclinic Sn2P2S6
22. C Hendriks -  Vibrational properties of VO2 across the metal insulator transition (MIT) 
23. PJaduan -  Topological classification of crystalline insulators with space group symmetry 
24. HJ Kim -  Surface effect in multilayer chair hydrofluorinated graphene
25. H Moriwake -  First-principles calculations of ferroelectricity in Wurtzite structured simple chalcogenides 
26. M Noor-A-Alam, HJ Kim and YH Shin -  Piezoelectric properties of hydrogen and fluorine codecorated silicene 
27. E Smith -  How lone pair cations influence the interplay of octahedral rotations and ferroelectricity in CsPbF3 
28. H Fu -  A new type of morphotropic phase boundary and large electromechanical response in ferroelectric PZT nanowires 
29. Z Gui -  THz dynamics of ferroelectric vortices from first principles 
30. L Louis - Water adsorbates at the surface of BaTiO3 nanowires
31. J Ouyang -  Achieving ultra-high density electric energy storage in ferroelectric BaTiO3 thin film capacitors prepared on Si 
32. A Raeliarijaona -  Various evidences for the unusual polarization behaviors in epitaxially strained (111) BaTiO3 
33. A Albarakaty - Dielectric response of Pb(Mg1/4Nb1/2Ti1/4)O3 from first principles in the terahertz frequency range
34. I Jankowska-Sumara -  Phase transitions precursor phenomena and mode softening studied by piezoresponse force microscopy-PFM Raman and Brillouin light scattering in PbZr0.78Sn0.22O3 antiferroelectric single crystals.
35. T Mori -  Terahertz time-domain spectroscopic study on congruent LiNbO3 and LiTaO3 crystals 
36. M Ahart -  Diffuse scattering in Pb(In1/2Nb1/2)O3 under pressure
37. L Cai -  Anisotropic and competing dynamical coupling in relaxor ferroelectric (Na1/2Bi1/2)TiO3 near high temperature phase transition 
38. E Iolin -  Inelastic and quasi elastic neutron scattering by the depolarizing soft mode in relaxor 
39. W Smith -  ONR’s research program on acoustic transduction materials and devices 
40. H Takenaka -  Computational study of diffuse scattering technique in a relaxor 
41. B Abbett -  Structural investigations and the effect of strain on lead based double perovskites
42. T Hashimoto -  Susceptibility of BaTiO3 by molecular dynamics simulations using a shell model
43. D Kajewski -  Phase transitions in single PbZrO3:Nb crystals
44. SG Kang -  First-principles investigation of structural and electronic properties of low tolerance factor perovskites
45. L Szymczak-Mazur -  Microstructure and dielectric properties of (Ba0.8Sr0.2)TiO3:La ceramics