PROGRAM

 

SUNDAY, FEBRUARY 8, 2004

 

 

17:00-19:00

Registration and Welcoming Reception

Woodlands Center

19:00-21:00

Dinner

 

 

 

MONDAY, FEBRUARY 9, 2004

 

 

08:00-08:25

Registration

 

08:25-08:30

Welcome

 

 

 

 

Session 1

Relaxor Structure and Dynamics

 

 

 

 

08:30-09:15

S. B. Vakrushev

Cubic relaxors:  structure and lattice dynamics

09:15-09:45

T. Egami

Temperature dependent dynamics and static correlations in relaxor ferroelectric PMN

09:45-10:30

C. Stock

Dynamic properties of the relaxors PMN and PZN

 

 

 

10:30-10:45

COFFEE BREAK

 

 

 

 

10:45-11:30

J. Hlinka

Soft mode dispersion curves in relaxor ferroelectrics by inelastic neutron scattering

11:30-12:00

P. M. Gehring

Anisotropic mode-coupling, the waterfall effect, and diffuse scattering in relaxor materials

12:00-12:30

G. Xu

Decoupling of lattice distortion and ferroelectric polarization in PZN-xPT and PMN-xPT relaxors

 

 

 

12:30-13:40

LUNCH

 

 

 

 

Session 2

Low-Dimensional Systems – I

 

 

 

 

13:40-14:25

H. Fu

Ferroelectric BaTiO3 quantum dots

14:25-14:55

N. Sai

First-principles study of ferroelectric thin film capacitors

14:55-15:40

J. F. Scott

Effects of micro-geometry on the physical properties of ferroelectrics

 

 

 

15:40-16:00

COFFEE BREAK

 

 

 

 

16:00-16:30

J. Junquera

Ferroelectricity and tetragonality in perovskite ultrathin films

16:30-17:00

G. B. Stephenson

Theory and experiment for 180o stripe domains and critical thickness in ultrathin PbTiO3 films

17:00-17:45

Y. Yacoby

Atomic structure of ultrathin PbTiO3 on SrTiO3 using COBRA

17:45-18:30

J. C. Woicik

Large negative Poisson’s ratio for SrTiO3 thin films grown on Si(001)

 

 

 

18:30-19:30

DINNER

 

 

 

 

19:30-21:30

POSTER SESSION

 


Poster Session

 

 

MONDAY, FEBRUARY 9, 2004

 

 

P1

M. Ahart, A. Asthagiri, R. J. Hemley, and R. E. Cohen

Micro-Brillouin scattering of relaxor ferroelectrics

P2

R. Ahluwalia, T. Lookman, A. Saxena, and W. Cao

Ginzburg-Landau study of electromechanical properties of multi-domain ferroelectrics

P3

A. R. Akbarzadeh, L. Bellaiche, K. Leung, J. Iniguez, and D. Vanderbilt

Atomistic simulations of the incipient ferroelectric KTaO3

P4

A. Al-Barakaty, L. Bellaiche, R. Haumont, B. Dkhil, J. M. Kiat, and H. Dammak

Finite-temperature properties of PSN-PT near its MPB

P5

A. Asthagiri, M. Sepliarsky, Z. Wu, N. Choudhury, and R. E. Cohen

Fitting shell potential models for PMN and PMN-PT

P6

I. T. Bodnar and V. P. Yarunichev

Transition elements impurity influence on the temperature behavior of lithium niobate refractive indices

P7

W. Cao

Theoretical and experimental study of domain pattern symmetries in PMN-PT and PZN-PT single crystals

P8

D. Ceresoli and E. Tosatti

Ab-initio study of pseudorotations in quantum paraelectric SrTiO3 and KTaO3

P9

N. Choudhury, Z. Wu, E. Walter, and R. E. Cohen

Ab-initio linear response studies of PMN (PbMg1/3Nb2/3O3) and PT (PbTiO3)

P10

V. R. Cooper, Y.-H. Shin, I. Grinberg, and A. M. Rappe

Bond-valence molecular dynamics simulations of PbTiO3

P11

C. J. Fennie and K. M. Rabe

Investigation of lattice instabilities in layered ferroelectrics

P12

G. Geneste, E. Bousquet, and P. Ghosez

Ab-initio study of ferroelectric nanowires and nanoparticles

P13

I. Grinberg and A.M. Rappe

Silver solid solution piezoelectrics

P14

R. K. Grubbs, E. L. Venturini, P. G. Clem, J. J. Richardson, G. A. Samara, Z. G. Ye, and Y. Bing

Pressure study of complex perovskitesPb(Sc0.5Nb0.5)O3 and CaCu3Ti4O12

P15

J. Han, W. Cao, and V. H. Schmidt

Phase transition behavior in <110> oriented 71%Pb(Mg1/3Nb2/3)O3-29%PbTiO3 single crystals

P16

F. Hippert, J. Kreisel, F. Villain, M. Maglione, and A. Simon

EXAFS investigation of the peculiar relaxor BaTi0.65Zr0.35O3

P17

F. Ishii and T. Oguchi

First-principles study of ferroelectricity in the magnetic semiconductor Cd1-xMnxTe

P18

F. J. Jiang, O. Svitelskiy, Z. G. Ye, W. Chen, and J. Toulouse

A critical analysis of the low-frequency Raman spectra of relaxor ferroelectrics:  two-time scale dynamics

P19

K. Johnston and K. M. Rabe

Self-poling of a PbTiO3 thin film from first principles

P20

S. Kamba, V. Bovtun, V. Porokhonsky, A. Pashkin, P. Samoukhina, and J. Petzelt

Ferroelectric soft mode and central mode behavior in relaxor ferroelectics

P21

H. Kwee, S. Zhang, H. Krakauer, E. J. Walter

Auxiliary-field quantum Monte Carlo calculations of O2 and PbO molecular dissociation energy

P22

C. Othon and S. Ducharme

Electron irradiated P(VDF-TrFE) Langmuir-Blodgett films

P23

M. Poulsen, M. Bai, S. Ducharme, A. V. Sorokin, S. Reddy, J. M. Takacs, Y. Wen, and V. M. Fridkin

Investigation of ferroelectricity in Poly(methyl vinylidene cyanide)

P24

S. Prosandeev, E. Cockayne, B. Burton, and A. Turik

First-principles computations for KTN

P25

I. P. Raevski, S. I. Raevskaya, S. A. Prosandeev, V. A. Shuvaeva, A. M. Glazer, and M. S. Prosandeeva

Diffuse first-order phase transition in NaNbO3:Gd

P26

S. Selenu, M. W. Finnis, and J. Kohanoff

Size effect and polarization at the ferroelectric-metal interface

P27

M. Sharma, R. Resta, and R. Car

Ab-initio molecular dynamics in electric fields via Wannier functions:  dielectric properties of liquid water.

P28

E. Statz, D. W. Ward, R. M. Osgood, and K. A. Nelson

Phonon-polariton propagation in thin film LiNbO3

P29

S. Tinte, K. M. Rabe, and D. Vanderbilt

Local structure of PbMg1/3Nb2/3O3 from first principles

P30

A. Tkachuk, P. M. Gehring, and H. Chen

Neutron studies of anti-ferrodistortive nanodomains in the PMN relaxor

P31

C.-S. Tu, F.-T. Wang, W.-T. Shu, P. Han, R. Chien, and V. H. Schmidt

E-field induced optical properties in

Pb(Mg1/3Nb2/3O3)1-xTixO3 (PMNT) crystal

P32

C.-S. Tu, F.-T. Wang, C. L. Tsai, R. Chien, V. H. Schmidt, and H. Luo

The role of E-field poling on phase transitions in Pb(Mg1/3Nb2/3O3)1-xTixO3 (PMNT)

P33

K. Uchida, S. Tsuneyuki, and T. Schimizu

Theoretical investigation of the carrier-doping modulation of the structural instabilities in SrTiO3

P34

E. L. Venturini, G. A. Samara, M. Itoh, R. Wang, and W. Kleeman

Low temperature dipolar relaxation in quantum paraelectrics:  SrTiO3

P35

C.-Z. Wang and H. Krakauer

First-principles calculations of piezoelectric constants for (Ba1/2La1/2)(Mg1/2Nb1/2)O3 and (Pb1/2La1/2)(Mg1/2Nb1/2)O3:  effects of compositional symmetry breaking

P36

X. Wang, I. Souva, and D. Vanderbilt

Perturbative treatment of lattice dynamics in finite electric fields

P37

P. Wu

Design of new perovskites for ferroelectric applications through computational materials modeling and simulation

P38

X. Wu, D. Vanderbilt, and D. R. Hamann

Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory

P39

Z. Wu, R. E. Cohen, and D. J. Singh

Weighted density approximation (WDA) calculations for ferroelectrics materials and YH3, LaH3, and CaB6

P40

R. Zhang, B. Jiang, and W. Cao

Superior lateral electromechanical properties of [011] poled PZN-PT single crystals


TUESDAY, FEBRUARY 10, 2004

 

 

Session 3

Light Scattering / Susceptibility

 

 

 

 

08:30-09:00

R. Mamin

Dynamic inhomogeneities due to the charge localization dynamics and photostimulated phenomenon in PMN

09:00-09:30

D. A. Tenne

Lattice dynamics in BaxSr1-xTiO3 single crystals and thin fims studied by Raman spectroscopy

09:30-10:15

E. V. Colla

The dielectric nonlinear properties of some disordered complex perovskites

 

 

 

10:15-10:30

COFFEE BREAK

 

 

 

 

Session 4

Low-Dimensional Systems – II

 

 

 

 

10:30-11:00

C. Bungaro

Surface and interface effects in ferroelectric thin films and multilayer structures

11:00-11:30

O. Dieguez

Ab-initio study of the phase diagram of epitaxial BaTiO3

11:30-12:00

E. Salje

Surface relaxations in ferroelectric and ferroelastic materials

 

 

 

12:00-13:10

LUNCH

 

 

 

 

Session 5

First-Principles

 

 

 

 

13:10-13:55

D. J. Singh

First-principles investigation of novel ferroelectric perovskites based on A-site substitutions in BiScO3 – PbTiO3

13:55-14:25

R. E. Cohen

First-principles simulations of large strain piezoelectric transducer materials

14:25-14:55

L. Bellaiche

Understanding and designing complex ferroelectrics from first principles

14:55-15:25

M. Veithen

First-principles study of the electrooptic effect in ferroelectric oxides

 

 

 

15:25-15:45

COFFEE BREAK

 

 

 

 

Session 6

Pressure Studies

 

 

 

 

15:45-16:30

I. A. Kornev

High pressure phases in highly piezoelectric PbZr0.52Ti0.48O3

16:30-17:00

J. Kreisel

Pressure instabilities in relaxor ferroelectrics

17:00-17:30

G. A. Samara

Dipolar centers in incipient ferroelectrics:  Mn and Fe in KTaO3 – effects of pressure

 

 

 

Session 7

SBN – PNR and Aging Effects

 

 

 

 

17:30-18:00

W. Kleeman

Dynamics of polar nanodomains and critical behavior of the uniaxial relaxor SBN

18:00-18:30

M. B. Weissman

Aging in SBN:  contrast with perovskite relaxors

 

 

 

19:30-21:30

CONFERENCE DINNER

 


WEDNESDAY, FEBRUARY 11, 2004

 

 

Session 8

Applications

 

 

 

 

08:00-08:45

H. C. Robinson

Applications of ferroelectric single crystals in Navy sonar

08:45-09:30

P. Han

PMN-PT single crystals, recent development and challenges

 

 

 

Session 9

Multiferroics

 

 

 

 

09:30-10:00

D. W. Ward

The role of multiferroics in the negative index of refraction

10:00-10:30

A. L. Roytburd

Theory and modeling of multiferroic heterostructures

 

 

 

10:30-10:45

COFFEE BREAK

 

 

 

 

Session 10

Polymers

 

 

 

 

10:45-11:15

S. Nakhmanson

Superpolar polymers by design

11:15-11:45

M. Bai

Crystalline nanomesa and nanowell formations from ferroelectric polymer Langmuir-Blodgett films

11:45-12:15