Book of abstracts

Scientific Program

DETAILED SCIENTIFIC PROGRAM

Sunday March 31, 2019

                          S-1

 

Room 1

 

Opening Plenary Session

 

Chairs: S. Saxena, R. Hennig

08:30-09:30

H. K. Mao,

Recent advances in high-pressure physics, materials, and geoscience.

09:30-10:30

A. Bansil,

Raising the bar toward a first-principles description of stronger correlations: Novel superconductors to topological materials.

 

10:30-11:00

Coffee Break

 

                          S-2A                                                           S-2B

 

Room 1

Room 2

 

Topological & Correlated Materials-1

Metal Hydrides & Energy Materials-1

 

Chairs: A. Bansil, X. X. Xi

Chairs: H.-W. Li, J. Chen

11:00-11:30

K. Tanigaki,

Single crystal thin films of three-dimensional topological insulators via non-catalytic vapor phase epitaxial crystal growth.

C. J. Webb,

The use of oxides to kinetically enhance the sorption properties of MgH2 at high pressure.                                                                          

11:30-12:00

T. H. Choudhury,

Controlling epitaxial growth of transition metal dichalcogenides by gas source CVD.

C. Jensen,

Reversible Hydrogenation of Magnesium Boride and Magnesium Boranes to Magnesium Borohydride.

12:00-12:30

Z. Mao,

Layered magnetic topological semimetals and their unusual interlayer quantum transport.                

T. R. Jensen,

Hydrogen storage and battery materials - new types of materials.                                                            

 

12:30-14:00

Lunch Break

 

                          S-3A                                                           S-3B

 

Room 1

Room 2

 

Topological & Correlated Materials-2

Metal Hydrides & Energy Materials-2

 

Chairs: K. Tanigaki, B. Barbiellini

Chairs: T.R. Jensen, C.J. Webb

14:00–14:30

Qi Li,

Topological Surface States and Inducing Superconductivity in Bi2Te3 Nanotubes.

V. Yartys,

High pressure metal hydrides for hydrogen based energy storage: structure-properties relationship.

14:30-15:00

L. Balicas,

Topological Semimetals from a High Magnetic Fields Perspective.

K. T. Møller,

Molten metal closo-hydridoborates.

15:00-15:30

S. Y. Matsushita,

Quantum hall effect and thermoelectric properties of surface Dirac states in Sn-Bi1.1Sb0.9Te2S crystal.

Y. Filinchuk,

Non-equilibrium Kr adsorption in nanoporous γ‑Mg(BH4)2 by in situ synchrotron powder diffraction.             

15:30-16:00

I. Dasgupta,

Realization of Spin-Orbital Liquid State in Iridates.

C. Zlotea,

Multi-principal-element alloys as new materials for hydrogen absorption.

 

16:00-16:30

Coffee Break

                      

                          S-4A                                                          S-4B

 

Room 1

Room 2

 

Topological & Correlated Materials-3

Metal Hydrides & Energy Materials-3

 

Chairs: J. Sun, J.F. He

Chairs:Y. Filinchuk,D. Matsumara

16:30-17:00

Y. Ding,

Spin-Orbit Assisted Correlated Materials at High Pressure: Novel Phases and Phenomena.

M. Polanski,

H2 Nautic - a hydrogen storage vessel for small touristic boats.                           

17:00-17:30

T. Schmitt,

Evolution of the spin, orbital and charge excitations upon tuning the local lattice environment of Sr2IrO4.

M. Heere,

Complex metal hydrides investigated by fast neutron powder diffraction.         

17:30-18:00

W. S. Kyung,

Electric field driven octahedral rotation in Sr2RuO4 and its implication.                                                                                                               

Y. Song,

Structural Stability of and Enhanced CO2 Storage in Metal-Organic Frameworks under High Pressures Probed by Vibrational Spectroscopies and X-ray Diffraction.

18:00-18:30

O. Eriksson,

DMFT coupled to DFT: Case of some complex oxides.

 

 

 

Monday April 01, 2019

                          S-5A                                                           S-5B

 

Room 1

Room 2

 

Topological & Correlated Materials-4

Metal Hydrides & Energy Materials-4

 

Chairs: A. Bansil, T. Schmitt

Chairs: Y. Filinchuk, R. Ahuja

08:30-09:00

D. Dessau,

High temperature and possible topological superconductivity.

C. E. Buckley,

Thermal Battery Development for Concentrated Solar Power Systems.

09:00-09:30

M. Shi,

ARPES on topological quantum materials: from topological Kondo insulator to Weyl semimetal.                  

 

L. Stievano,

The sodiation-desodiation mechanism of Sb-based electrode materials revealed by operando spectroscopy assisted by chemometric data analysis.

09:30-10:00

J. -F. He,

Angle-resolved photoemission studies on strongly correlated materials.

M. Heere,

Neutron diffraction for energy storage and conversion in metal hydrides.

10:00-10:30

N. L. Saini,

Electronic phase separation in BiS2-based systems.

H. Miyaoka,

Study on catalytic activation for Mg hydrogen storage.

 

10:30-11:00

Coffee Break

                         

                          S-6A                                                          S-6B

 

Room 1

Room 2

 

Emerging Superconductors

Metal Hydrides & Energy Materials-5

 

Chairs: S. Feng, M. Shi

Chairs: C.E. Buckley, H. Miyaoka

11:00-11:30

D. Louca,

Nanoscale Atomic Distortions in the BiS2 Superconductors: Ferrodistortive Sulfur Modes.

H. Saitoh,

High-pressure and high-temperature synthesis of novel hydrides.                    

11:30-12:00

K. Kudo,

Superconductivity in Pt-based pnictides with ordered honeycomb networks.

H. -W. Li,

Solvent-free Facile Synthesis of Metal Boron Hydrides for Superionic Conductivity.

12:00-12:30

Y. Goto,

SnPn-based layered superconductors.

 

K. T. Møller,

Thermochemical Energy Storage Utilising Metal Carbonates.                      

 

12:30-14:00

Lunch Break

 

                          S-7A                                                          S-7B

 

Room 1

Room 2

 

Topological & Correlated Materials-5

Metal Hydrides & Energy Materials-6

 

Chairs: Y. Ding, D. Dessau

Chairs: T.R. Jensen, V. Yartys

14:00-14:30

S. Zhang,

Dark and half excitonic insulators.

 

C. Pistidda,

A Hydride Composite Featuring Mutual Destabilisation and Reversible Boron Exchange: Ca(BH4)2-Mg2NiH4.

14:30-15:00

M. R. Vega,

Higher-order Floquet topological phases with corner and bulk bound states.

D. Matsumura,

X-ray absorption spectroscopy for reaction of metal hydrides.

 

15:00-15:30

T. S. Dasgupta,

Heterostructures of 3d-5d Double Perovskites: Potential Candidates for Confined Half-metallicity & High-T Quantum Anomalous Hall States.

M. Polanski,

What hydride can steal from stainless steel ?About the Mg2FeH6 formation from magnesium hydride and austenitic steel.

15:30-16:00

X. Wan,

Towards ideal topological materials: Comprehensive database searches using symmetry indicators.

 

 

Tuesday Aril 02, 2019

                             S-8

 

Room 1

 

Correlated Oxides & Energy Materials

 

Chairs: I. Dasgupta, N.L. Saini

08:30-09:00

X. X. Xi,

Nature of the metal-insulator transition in few-unit-cell-thick LaNiO3 films.

09:00-09:30

B. Barbiellini,

Identification of ferrimagnetic orbitals preventing Jahn-Teller distortions in LixMn2O4 cathodes.

09:30-10:00

S. H. Lee,

New Materials for Next Generation Printable Solar Cells.

 

16:00-16:30 

Coffee Break

                            

                             S-9

 

Room 1

 

High Pressure Superconductivity

 

Chairs: R. Hennig, A. Bansil

16:30-17:30

W. Pickett,

How Compressed Hydride Superconductors Produce Room Temperature Superconductivity.

17:30-18:80

E. Zurek,

Computational Discovery of Novel Superconducting Hydride Phases Under Pressure.

18:00-18:30

T. Shibauchi,

High-Tc superconducting phases of FeSe-based materials at high pressure.

 

Wednesday April 03, 2019

                             S-10

 

Room 1

 

Graduate Students Session-I

 

Chairs: M. Polanski, C. E. Buckley

08:30-08:45

M. Jørgensen,

Weakly coordinating anions in solid state electrolytes.

08:45-09:00

J. B. Grinderslev,

Extreme Hydrogen Densities in Ammonium Metal Borohydrides.

09:00-09:15

M. Pęska,

Magnesium – Lithium alloys as hydrogen storage materials.

09:15-09:30

J. Vodeb,

Correlated Configurational States and a Quantum Charge Liquid in Layered Metallic Dichalcogenides.

 

16:00-16:30

Coffee Break

                            

                             S-11

 

Room 1

 

Graduate Students Session-II

 

Chairs: N. L. Saini, K. Kudo

16:30-16:45

S. R. Xie,

Machine learning of Potential-Energy Landscapes in

Two-dimensional Group-III Oxides.

16:45-17:00

P. Nautiyal,

Graphene Foam for Engineering Ultra-Stiff, Tough and Impact-Resistant Structural Composites.

17:00-17:15

J. T. Paul,

Materials Informatics Search for Strongly Correlated 1D Materials.

17:15-18:30

Poster Presentations (Pugliese, Stramaglia, Shinzato, Karczewski)

17:45-18:30

 

 

Thursday April 04, 2019

                            S-12

 

Room 1

 

Iron-based Superconductors - 1

 

Chairs: C. Meingast, B. Buechner

08:30-09:00

P. Hirschfeld,

Pairing mechanism in iron-based superconductors: variations on the s+/- theme.

09:00-09:30

Y. Li,

Spin-orbit coupling and “preferred” magnetic excitations
in iron-based superconductors.

09:30-10:00

R. Hackl,

Microscopic origin of Cooper pairing in Ba1-xKxFe2As2 and CaKFe4As4.

10:00-10:30

F. Hardy,

Nodal Superconductivity in FeSe single crystals from heat capacity.

 

10:30-11:00

Coffee Break

 

                         S-13A                                                         S-13B

 

Room 1

Room 2

 

Iron-based Superconductors - 2

High Pressure Earth & Planetary Sci.

 

Chairs: P. Hirschfeld, F. Hardy

Chairs: J. Chen, S. Saxena

11:00-11:30

B. M. Andersen,

Multi-orbital effects and the role of spin-orbit coupling in iron-based superconductors.

Han Hsu,

Iron spin crossover in the Earth and planetary interiors: A perspective from computational materials physics.

11:30-12:00

B. Buechner,

Orbitals and Nematicity in La-1111 Single Crystals.

 

M. Hou,

Temperature-induced amorphization in CaCO3 at high pressure: implication for recycled CaCO3 in subduction zones.

12:00-12:15

A. P. Dioguardi,

75As NMR under uniaxial pressure in BaFe2As.

W. L. Mao,

Hydrogen-bearing iron peroxide in Earth's lowermost mantle.

12:15-12:30

M. He,

Ubiquitous dichotomy between the in-plane uniform magnetic susceptibility and resistivity anisotropies in iron-based superconductors.

W. L. Mao,

Hydrogen-bearing iron peroxide in Earth's lowermost mantle.                                                                                           

 

12:30-14:00

Lunch Break

                        

                         S-14A                                                         S-14B

 

Room 1

Room 2

 

Iron-based Superconductors - 3

High Pressure & 2D Materials

 

Chairs: B.M Andersen, R. Hackl

Chairs: W.L. Mao, A. L. da Rosa

14:00-14:30

T. Shibauchi,

Novel electronic nematicity in (Ba,Rb)Fe2As2.

Jin Liu,

Mantle-Slab Interactions and Mantle Heterogeneities.

14:30-15:00

M. S. Ikeda,

Feeling strain – Thermal and Resistive response in iron pnictides.

Jiuhua. Chen,

Kinetics of dehydrogenation of FeOOH at Earth’s lower mental conditions.

15:00-15:30

M. Christensen,

Intertwined spin-orbit coupled orders in the iron-based superconductors.

 

A.  Agarwal,

Graphene Foam-Based Multifunctional Polymer Composites for Self-Healing, De-icing and Strain-sensing Applications.

15:30-15:45

C. Meingast,

Intertwined and vestigial electronic phases in hole-dopes Sr1-xNaxFe2As2.

O. Kurakevych,

Accomplishing a suite of magnesium carbides by HPHT synthesis.                      

15:45-16:00

C. Meingast,

Intertwined and vestigial electronic phases in hole-dopes Sr1-xNaxFe2As2.

A. Soldatov,

Nanostructured graphene: When disorder makes things better?                     

 

16:00-16:30

Coffee Break

                         

                          S-15A                                                         S-15B

 

Room 1

Room 2

 

Iron-based Superconductors - 4

Topological & Quantum Materials

 

Chairs: Y. Li, T. Shibauchi

Chairs: A, Bansil, R. Hennig

16:30-17:00

V. Taufour,

Pressure dependence of the superconducting upper critical field in KFe2As2 and related materials.

P. Vashishta,

Reactive molecular dynamics simulations and machine learning.              

17:00-17:30

G. Garbarino,

Pressure temperature phase diagram of iron based superconductors.               

E. Zurek,

Predicting Superhard Materials via a Machine Learning Informed Evolutionary Structure Search.

17:30-18:00

V. Svitlyk,

Structure-property correlations in FeSe-based superconducting materials,

J. Sun,

The SCAN density functional and its surprising performance in complex materials.

18:00-18:15

N. L. Saini,

Local structure and superconductivity in iron-based superconductors.

A. Nevidomskyy,

Emergent Spin Vortex Crystals in Frustrated Quantum Magnets.

18:15-18:30

 

A. Nevidomskyy,

Emergent Spin Vortex Crystals in Frustrated Quantum Magnets.

 

18:45-20:15

Get Together Partyvenue to be communicated

 

Friday April 05, 2019

                            S-16

 

Room 1

 

Correlated Materials & Superconductivity

 

Chairs: D. Louca, E. Zurek

08:30-09:00

K. Tanigaki,

Electron-phonon and electron-electron interactions in electron doped aromatic carbon materials viewed from electrical transport.

09:00-09:30

S. Tsuchiya,

Development of optical pump probe spectroscopy under uniaxial pressure: Application to strongly correlated superconductors.

09:30-10:00

K. Park,

Projected BCS theory for the unification of antiferromagnetism and strongly correlated superconductivity.

10:00-10:30

S. Feng,

Autocorrelation of quasiparticle spectral intensities and its connection with quasiparticle scattering interference in cuprate superconductors.

 

 

16:30-17:00

Coffee Break

                            

                             S-17

 

Room 1

 

2D Materials & Concluding Session

 

Chairs: N. L. Saini, J. Chen

17:00-17:30

R. Hennig,

Materials Informatics Approaches for the Discovery of Magnetic 2D Materials.

17:30-18:00

A. L. da Rosa,

Role of doping and defects on the electronic properties of ZnO.

18:00-18:30

V. Drozd & S. Saxena,

Down the memory lane.

18:30-19:00

Organizers & Participants,

Concluding Remarks.