Program & Abstract Book

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Sunday, January 25th, 2015

5:00 p.m. – 7:00 p.m.  Reception and Registration (Salon B & C)                                                                              

Monday, January 26th, 2015

7:30 a.m. – 8:30 a.m. — Continental Breakfast (Outside of Summit 1)   
                                                       
8:00 a.m. – 8:15 a.m. — Welcome (Summit I)  
Hans Christen, Director, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory                                                                               

8:15 a.m. – 8:25 a.m. — Opening Remarks (Summit I)
Valentino Cooper                                                                               

8:25 a.m. – 10:00 a.m. — Multiferroics and Magnetoelectrics (Summit I)
Chairperson: Ronald Cohen

8:25 a.m. — 
J. Scott (Invited) - Dynamics of some nano-ferroelectrics and multiferroics
8:50 a.m. — 
B. Dkhil (invited) - Strain induced and its consequences in multiferroics
9:15 a.m. — 
A. Pignolet - The quest for new room temperature multiferroic thin films
9:30 a.m. — 
S. Ghosh - Design strategy and prediction of new room temperature magnetoelectric multiferroics
9:45 a.m. — 
O. Udalov - Magnetoelectric coupling in granular multiferroics

                       
10:00 a.m. - 10:30 a.m. — Coffee Break (Outside of Summit 1)

10:30 a.m. – 12:10 p.m. — Growth and Characterization (Summit I)
Chairperson: Rama Vasudevan

10:30 a.m. — 
B. Bein - Novel in-situ X-ray diffraction measurement of ferrroelectric superlattice properties during growth
10:45 a.m. — 
Z. G. Ye - New insights into the structure and properties of PZT from mesoscopic to atomic scale
11:00 a.m. — 
S. Vakhrushev – Lattice modulation and structural instability at M-point in PZT single crystals by X-ray scattering
11:15 a.m. — 
V. Goian - Demonstration of spin-phonon coupling in infrared and THz spectra of Sr1-xBaxMnO3 and Sr1-xBaxMn1-yTiyO3 ceramics
11:30 a.m. — 
A. Bussman-Holder - Tiny cause with large effects: The origin of the large magnetoelectric and magnetoelastic effect in EuTiO3
11:45 a.m. — 
P. Jena (Invited) - Organic metal-free ferroelectric and multiferroic materials

 

12:10 p.m. – 1:40 p.m. — Working Lunch (Salon B & C)
Lunch Speaker: A. Borisevich
“Ferroelectrics in infinite dimensions: beyond order parameter description”

1:40 p.m. – 3:00 p.m — Novel Properties I (Summit I)
Chairperson: P. Ganesh

1:40 p.m. — 
J. Hong (Invited) - Towards a full first-principles theory of flexoelectricity
2:05 p.m. — 
G. Catalan (Invited) - Flexoelectricity in polar materials
2:30 p.m. — 
J. Zhang - Pyroelectric and dielectric properties in ferroelectrics with bilayer and compositionally-graded structures
2:45 p.m. — 
G. Guzman-Verri - Why is the electrocaloric effect so small in ferroelectrics?

 

3:00 p.m. – 3:30 p.m. — Coffee Break (Outside of Summit 1)

3:30 p.m. – 4:55 p.m. — Novel Properties II (Summit I)
Chairperson: Nina Balke

3:30 p.m. — 
C. S. Tu (Invited) – Photovoltaic conversion of rare earth-doped BiFeO3 multiferroic ceramics
3:55 p.m. — 
F. Wang – Bulk photovoltaic effect enhancement via electrostatic control in layered ferroelectrics
4:10 p.m. — 
T. Meyer - Superconductivity in over-doped cuprates induced by ferroelectric polarization
4:25 p.m. — 
B. Mani - Finite-temperature properties of antiferroelectric PbZrO3
4:40 p.m. — 
H. Fu - Physical constraint and its consequence for hyperferroelectrics

 

4:55 p.m. – 5:30 p.m. — Summary and Scientific Discussions

6:00 p.m. – 8:00 p.m. — Poster Session in lieu of dinner (Summit II)

Tuesday, January 27th, 2015

7:30 a.m. – 8:30 a.m. — Continental Breakfast                                                          

8:00 a.m. – 8:55 a.m. — Nonoxide Ferroelectrics (Summit I)
Chairperson: Andrew Rappe

8:00 a.m. — 
P. Barone (Invited) - Ferroelectricity and magnetoelectricity in hybrid organic-inorganic compounds
8:25 a.m. — 
H. Moriwake - First-principles calculations of the ferroelectric phase transition in pure molecular crystal trichloroacetamide
8:40 a.m. — 
C. Xu - Prediction of a stable post-post-perovskite structure from first principles

 

8:55 a.m. – 9:55 a.m. — Relaxors (Summit I)
Chairperson: Andrew Rappe

8:55 a.m. — 
A. Bokov – Multiple relaxation and characteristic temperatures in PbMg1/3Nb2/3O3:La relaxor ferroelectric crystals
9:10 a.m. — 
H. Takenaka – Computational study of real space local structure and diffuse scattering in a relaxor
9:25 a.m. — 
D. Wang – Fano resonance in lead-free relaxor Ba(Zr,Ti)O3
9:40 a.m. — 
O. Delaire - Phonons in SrTiO3 and EuTiO3 investigated with neutron scattering

 

9:55 a.m. – 10:25 a.m. — Coffee Break (Outside of Summit 1)

10:25 a.m. – 12:00 noon — Theory (Summit I)
Chairperson: David Vanderbilt

10:25 a.m. — 
G. Pizzi (Invited) - Microscopic description of perovskites near the ferroelectric phase transition
10:50 a.m. — 
J. Hlinka (Invited) - About the octuplet of symmetry-distinguishable direction indicators
11:15 a.m. — 
R. Cohen - Absence of ultra-high pressure ferroelectricity in PbTiO3
11:30 a.m. — 
R. Resta - A fresh look at the position operator (as in polarization, magnetization, and more)
11:45 a.m. — 
H. Krakauer -  Quantum Monte Carlo calculations in solids with downfolded Hamiltonians

 

12:00 noon – 1:30 p.m. — Working Lunch (Salon B & C)
Lunch Speaker: L. Bellaiche 
“Novel forms of energy in ferroelectric, antiferroelectric, antiferrodistortive, magnetic and multiferroic materials”

1:30 p.m. – 2:45 p.m. — New Ferroelectrics (Summit I)
Chairperson: Hemant Dixit

1:30 p.m. — 
A. Y. Birenbaum - Ab initio analysis of ferroelectric and magnetic properties of potentially multiferroic aurivillius phases
1:45 p.m. — 
S. Artyukhin - Colossal magnetoelectricity in hexagonal Ni3TeO6
2:00 p.m. — 
S. Disseler - Multiferroicity in bulk and thin-film hexagonal LuFeO3
2:15 p.m. — 
S. Kamba - Paraelectromagnon in multiferroic CaMn7O12 and hybrid ferroelectric phase transition in multiferroic Ca3Mn2O7
2:30 p.m. — 
D. Saldana-Greco - Magnetic-induced ferroelectric polarization in charge-ordered CaMn7O12 system

 

2:45 p.m. – 3:15 p.m. — Coffee Break (Outside of Summit 1)

3:15 p.m. – 4:55 p.m. — Domains (Summit I)
Chairperson: Vincent Garcia

3:15 p.m. — 
J. Musfeldt (Invited) – Spectroscopic signatures of domain walls in hexagonal ErMnO3
3:40 p.m. — 
S. Liu – Universal intrinsic origin for ferroelectric domain wall motion
3:55 p.m. — 
S. Prosandeev – Dynamical magnetoelectric effects associated with ferroelectric domain walls
4:10 p.m. — 
Z. Hong – PFM-tip induced 90° switching in Pb(Zr0.2Ti0.8)O3 thin film: Phase-field modeling
4:25 p.m. — 
P. Maksymovych – Conductance and electrochemistry of charged domain walls in lead zirconate titanate
4:40 p.m. — 
N. Barrett – Reversible switching of in-plane polarized ferroelectric domains in BaTiO3

 

4:55 p.m. – 5:30 p.m. — Summary and Scientific Discussions

6:00 – 8:00 p.m. — Banquet (Salon B & C)
Banquet Speaker: H. Christen
"User Opportunities at the Center for Nanophase Materials Sciences"

Wednesday, January 28th, 2015

7:30 a.m. – 8:30 a.m. — Continental Breakfast                                                          

8:00 a.m. – 9:00 a.m. — Interfaces/Superlattices/Thin Films(Summit I)
Chairperson: Ho Nyung Lee

8:00 a.m. — 
D. Barrionuevo Diestra - Investigations on ferroelectric/multiferroic tunnel junctions for multifunctional applications
8:15 a.m. — 
V. Garcia - Ferroelectric domains dynamics in memristive tunnel junctions based on super tetragonal BiFeO3
8:30 a.m. — 
Y. Yang - Room-temperature multiferroic superlattices
8:45 a.m. — 
M. H. Yusuf - Extrinsic and intrinsic charge trapping at the graphene/ferroelectric interface

 

9:00 a.m. – 9:55 a.m. — Dopants and Defects (Summit I)
Chairperson: Ho Nyung Lee

9:00 a.m. — 
A. Kimmel (Invited) – Defects in ferroelectric oxides and at interfaces
9:25 a.m. — 
C. Paillard – Point defects in lead titanate: A first-principles study
9:40 a.m. — 
T. Granzow - Dopants, defects & domains? Dielectric spectroscopy in LiNbO3

 

9:55 a.m. – 10:25 a.m. — Coffee Break (Outside of Summit 1)

10:25 a.m. – 11:20 a.m. — BiFeO3 (Summit I)
Chairperson: Veronica Goian

10:25 a.m. — 
G. Xu (Invited) – Spin and lattice dynamics in multiferroic BiFeO3
10:50 a.m. — 
H. Dixit – Stabilization and switchability of weak ferromagnetism in epitaxially strained BiFeO3
11:05 a.m. — 
F. Vidal – Spin-orbit coupling effects in multiferroic Bi2FeCrO6

 

11:20 a.m. – 11:40 a.m. — Closing Remarks (Summit I)

12:00 noon — Bus leaves for Tour of ORNL (Main Lobby)

 

 

Posters (3 ft wide x 4 ft tall)

  1. Saad Bin-Omran - Application of the Wang-Landau algorithm applied to ferroelectrics
  2. Annette Bussmann-Holder - Revisiting the phase transition in SrTiO3: type of transition and precursor effects
  3. Xiaoxing Cheng - Influence of coherent twin grain boundary on domain configuration in PZT
  4. Omar Chmaissem - Structural and magnetic properties of the novel Sr1-xBaxMnO3 multiferroics
  5. Bogdan Dabrowski - Multiferroic Sr1-xBaxMnO3 perovskite with a huge magnetoelectric coupling
  6. Jelle Dionot - Surface polarization, rumpling, and domain ordering of strained ultrathin BaTiO3(001) films with in-plane and out-of-plane polarization
  7. Simon Divilov - Role of interface termination in SrRuO3/PbTiO3/SrRuO3 capacitors under epitaxial strain
  8. Tamotsu Hashimoto - Piezoelectric constants of KNbO3 by molecular dynamics simulations using a shell model
  9. Christopher Hendriks - Ab initio phonon calculations in metallic and insulating VO2
  10. Ryan Herchig - Tailored polarization reversal and terahertz frequency dynamics in ferroelectric nanowires
  11. Brian Holinsworth - Direct band gaps in multiferroic h-LuFeO3
  12. Hsiang-Chun Hsing - Electrical transport and magnetic properties of PbTiO3/SrRuO3 superlattices
  13. Jiamian Hu - Purely electric-field-driven perpendicular magnetization reversal
  14. Alexander Lebedev - Ferroelectric phase transitions in stressed SrTiO3 thin films
  15. Hee Young Lee - Magnetoelectric properties of ferrite-PZT multilayer thin films
  16. Shinbuhm Lee - Growth control of metal-insulator transition and oxygen stoichiometry in VO2-x epitaxial thin films
  17. Lydie Louis - Structural and dielectric properties of the Ruddlesden-Popper Ba2ZrO4 structure from first-principles
  18. Chengtao Luo - Enhanced piezoelectric response near the morphotropic phase-boundary in lead-free (Na,Bi)TiO3-BaTiO3
  19. Subhasish Mandal - Many body effects on the formal charge of 3d -transition metal doped BaTiO3
  20. Yousra Nahas - Skyrmionic state in ferroelectric nanocomposites
  21. John Nichols - Tuning the physical properties in strontium iridate heterostructures
  22. Takeshi Nishimatsu - Direct molecular dynamics simulation of thermal conductivity in ferroelectrics
  23. Javier Nossa - Effects of Mn addition and compensating oxygen vacancies on the ferroelectric properties of BaTiO3
  24. Charles Paillard - Tuning the electron-skyrmion interaction: Topological Hall effect and beyond
  25. Jonathan Petrie - Strain control of electronic structure in epitaxial LaNiO3
  26. Daniel Phelan - Revisiting the structural evolution in powders and single crystals of PMN-xPT
  27. Sergei Prokhorenko - Vortex lines at the intersection of domain walls in ferroelectrics
  28. Aldo Raeliarijaona - Influence of vacancies on polarization and polarization switching from first-principles.
  29. Harold Robinson - ONR’s research program on acoustic transduction materials and devices
  30. Xuan Shen - Interfacial structure in epitaxial perovskite oxides on (001) Ge crystal
  31. Irina Sluchinskaya - Local structure and oxidation state of Ni impurity in SrTiO3, BaTiO3, and PbTiO3
  32. Oleg Udalov - Electron transport properties of composite ferroelectrics
  33. Rajasekarakumar Vadapoo - High pressure synthesis and characterization of predicted oxynitride perovskite: Yttrium silicon oxynitride (YSiO2N)
  34. Raymond Walter - Revisiting galvanomagnetic effects in conducting ferromagnets through electromagnetic field angular momentum density and magnetic moment coupling
  35. Bin Xu - Finite-temperature properties of rare-earth-substituted BiFeO3 multiferroic solid solutions and superlattices
  36. Tiannan Yang - Phase-field modeling on the elastically coupled magnetic and ferroelectric domains
  37. Meng Ye - Magnetic charge and the magnetoelectricity in hexagonal manganites RMnO3 and ferrites RFeO3
  38. Michael Yokosuk - Magnetoelectric coupling in Ni3TeO6
  39. Lipeng Zhang - Oxygen vacancy diffusion in bulk SrTiO3 from density functional theory
  40. Fan Zheng - First-principles calculation of bulk photovoltaic effect in CH3NH3PbI3 and CH3NH3PbI3-xClx
  41. Houlong Zhuang - Metal-insulator transition in nanostructured SrTiO3/LaAlO3