Metal-insulator transition of quadruple perovskite EuCu3Fe4O12 Optical spectroscopy and ab ...

133 Pages·2016·4.46 MB·English

by  Richard Baschera

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Thursday 30

17:00 RReeggiissttrraattiioonn

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Friday 1

Chairperson :
SESSION 1 Material prediction 1
Antoine VILLESUZANNE
IInnvviitteedd TTaallkkss
Understanding and designing novel materials for energy
09:00 INV1
Silvana BOTTI, Friedrich-Schiller Universität Jena, Germany

Defect structure-property relationships in complex functional materials
09:35 INV2
Khang HOANG, North Dakota State University, USA

10:10 CCOOFFFFEEEE BBRREEAAKK

Chairperson :
SESSION 2 New materials (mixed anions)
Florent BOUCHER
IInnvviitteedd TTaallkkss
New developments in the chemistry of oxynitride materials
10:40 INV3
Amparo FUERTES, Institut de Ciència de Materials de Barcelona, Spain
OOrraall PPrreesseennttaattiioonnss
Novel Oxyhydrides and Oxynitrides via High Pressure Synthesis
11:15 O1
Cédric TASSEL, Kyoto University, Japan

Perovskite-related Oxynitride Materials for Visible-light Photocatalysis
11:35 O2
François CHEVIRE, Institut des Sciences Chimiques de Rennes, France

Evidence of electrically charged crystal structures, balanced by pair
11:55 O3
Olivier MENTRE, Université Nord de France, Villeneuve d’Ascq, France

12:15 LLUUNNCCHH
Topological insulators and Chairperson :
SESSION 3
Metal-insulator transition Roser VALENTI
IInnvviitteedd TTaallkkss
Topology – from the materials perspective
14:00 INV4
Claudia FELSER, Max Planck Institute of Chemical Physics for Solids, Germany
OOrraall PPrreesseennttaattiioonnss
New topological insulators in bismuth-halide systems
14:35 O4
Anna ISAEVA, Dresden University of Technology, Germany

Metal-insulator transition of quadruple perovskite EuCu Fe O . Optical spectroscopy and
3 4 12
14:55 O5 ab-initio calculations
Benjamin BRIERE, Université F. Rabelais, France

Topological Property of Structure at Atomic and Electronic Length-scale
15:15 O6
Shuiquan DENG, Chinese Academy of Sciences & Southwest Jiaotong University, China

Interplay between localized and itinerant magnetism in EU-containing pnictides of the ThCr Si
2 2
15:35 O7 structure type
Michaël SHATRUK, Florida State University, USA

15:55 CCOOFFFFEEEE BBRREEAAKK

Chairperson :
SESSION 4 Chalcogenides
Stéphane JOBIC
IInnvviitteedd TTaallkkss
Optical and excitonic properties of 2D materials based on transition metal dichalcogenides
16:25 INV5
Xavier MARIE, Université de Toulouse, France
OOrraall PPrreesseennttaattiioonnss
Phase Change of SnTe Extreme Nano-Wires Encapsulated in Single-Walled Carbon Nanotube
17:00 O8
Andrij VASYLENKO, University of Warwick, UK

Chemical bonding and reactivity of the layered intergrowth compound Ba F S
17:20 O9 2 2 2
Dalel DRISS, Université de Nantes, France

A Theoretical and Experimental Investigation on Ge-Te-Se glasses by means of Solid-State NMR
17:40 O10
Lila BOUESSEL DU BOURG, Université de Rennes 1, France

Electronic structures of in-plane two-dimensional transition-metal dichalcogenides heterostructures
18:00 O11
Wei WEI, Shandong University, China.

18:30 PPOOSSTTEERR SSEESSSSIIOONN
nd
Saturday 2

Chairperson :
SESSION 5 Magnetism and frustration
Mike WHANGBO
IInnvviitteedd TTaallkkss
Prospects for topologically non-trivial electronic and magnetic states in correlated kagome lattice
08:30 INV6 materials : an ab initio investigation
Roser VALENTI, Goethe-Universität Frankfurt, Germany
OOrraall PPrreesseennttaattiioonnss
Synthesis and structures of magnetic model systems with competing interactions
09:05 O12
Angela MOLLER, Johannes Gutenberg-University Mainz, Germany

Tiny cause with huge impact: polar instability through strong magneto-electric-elastic coupling in
09:25 O13 bulk EuTiO
3
Annette BUSSMANN-HOLDER, Max-Planck-Institute, Germany

Magnetic frustration of Kagome lattices in MIIMIIIF (Htaz) weberites
09:45 O14 5
Marjorie ALBINO, Université du Maine, France

10:05 CCOOFFFFEEEE BBRREEAAKK

Chairperson :
SESSION 6 TCO, optoelectronics
Kazushige UEDA
IInnvviitteedd TTaallkkss
Transparent conducting materials: insights from hybrid Hartree-Fock density functional
10:35 INV7 calculations
Antoine VILLESUZANNE, Univ. Bordeaux, France & University of Bolton, UK
OOrraall PPrreesseennttaattiioonnss
Theoretical investigation of nitrogen defects in p-type ZnO
11:10 O15
Xavier ROCQUEFELTE, Université de Rennes 1, France

Composition induced changes in optical response of Ti Si O from first principles calculations
11:30 O16 1-x x 2
Pavel ONDRACKA, Masaryk University, Czech Republic

Structure – physicochemical property relationships in amorphous alumina
11:50 O17
Vanessa RIFFET, IPVF & IRDEP, France

A Study by ab-initio calculation of structural and electronic properties of semiconductor
12:10 O18 nanostructures based on ZnSe
Abderrahim RACHIDI, Mohammedia University Hassan II Casablanca, Morocco

12:30 LLUUNNCCHH
Chairperson :
SESSION 7 Emerging solar cells
Silvana BOTTI
IInnvviitteedd TTaallkkss
Physical properties of hybrid perovskites for photovoltaics and optoelectronics
14:00 INV8
Jacky EVEN, INSA Rennes, France

Development of mesoscopic p-type metal oxides for solar cell applications: challenges and
14:35 INV9 opportunities
Fabrice ODOBEL, Université de Nantes, France.

OOrraall PPrreesseennttaattiioonnss
Inorganic Molybdenum Clusters as ligth-harvester in all inorganic solar cells : a proof of concept
15:10 O19
Adèle RENAUD, Université de Rennes 1, France

15:30 CCOOFFFFEEEE BBRREEAAKK

Chairperson :
SESSION 8 Phosphors
Khang HOANG
OOrraall PPrreesseennttaattiioonnss
Ce3+-doped Gd Sc Al O : a new candidate as phosphor for LED-based lighting ?
16:00 O20 3 2 3 12
Géraldine DANTELLE, Institut Néel, France

Preparation and photo-/cathodo-luminescence of Ln doped CaZrO films
16:20 O21 3
Kazushige UEDA, Kyushu Institute of Technology, Japan

Crystallographic localization of rare earth atoms by XRD and CTEM for the understanding of the
16:40 O22 luminescence of AlN:Er (x= 0-6 %) films
x
Valérie BRIEN, Université de Lorraine, France

Structural and luminescence properties of EU3+ and TB3+ rare earth fluorophosphates with
17:00 O23 general formula LiY (PO ) F (x = 2, 3)
1+x 4 x 4
Wahida LTAIEF, Université de Sfax, Tunisie & Université Blaise Pascal, France

rd
Sunday 3

SSuunnddaayy TToouurr
th
Monday 4

Material prediction and Chairperson :
SESSION 9
New materials Xavier ROCQUEFELTE
IInnvviitteedd TTaallkkss
Discovering materials with specific effective masses, band gaps and optical properties
09:00 INV10
Xavier GONZE, NAPS, Louvain-la-Neuve, Belgique
OOrraall PPrreesseennttaattiioonnss
Structure and composition of the 200 K-superconducting phase of H S under ultrahigh pressure :
2
09:35 O24 the perovskite (SH-)(H S+)
3
Juergen KOEHLER, Max-Planck-Institut, Germany

Towards the real structure of boron-carbide
09:55 O25
Karsten RASIM, Max-Planck-Institut, Germany

First spin-glass behavior of a ternary iron nitride: structure-property relationships in the solid
10:15 O26 solution Sn Fe N (0 ≤ x ≤ 0.9)
x 4–x
Tanja SCHOLZ, RWTH Aachen University, Germany

Zigzag antiferromagnetic order and orbitally induced hierarchy of exchange interactions in
10:35 O27 honeycomb compounds A M SbO (A=Li, Na, Ag; M=Ni, Co)
3 2 6
Elena ZVEREVA, Moscow State University, Russia

10:55 CCOOFFFFEEEE BBRREEAAKK

Chairperson :
SESSION 10 Information storage
Laurent CARIO
IInnvviitteedd TTaallkkss
A chemical (bonding) perspective on phase-change and related materials
11:25 INV11
Richard DRONSKOWSKI, RWTH Aachen University, Germany

From the structural characteristics of the Ge-rich GST phase change materials to the high
12:00 INV12 reliability performances of the PCM devices
Véronique SOUSA, CEA-LETI, Grenoble, France

12:35 LLUUNNCCHH
Magnetism and spin orbit Chairperson :
SESSION 11
coupling Silvia PICOZZI
IInnvviitteedd TTaallkkss
Novel interplay of spin-orbit coupling and electron correlations in Ir4+ complex oxides
14:00 INV13
Hidenori TAKAGI, Max-Planck-Institute, Germany & University of Tokyo, Japan
OOrraall PPrreesseennttaattiioonnss
Ba NiOsO : a possible spin-orbit coupling assisted ferromagnetic semiconductor
14:35 O28 2 6
Kazunari YAMAURA, National Institute for Materials Science, Japan

Thermodynamic properties, optical spectroscopy and underlying model in Franciste – type family
14:55 O29 of compounds Cu RE(SeO ) O Cl
3 3 2 2
Alexander VASILIEV, M.V. Lomonosov Moscow State University & “MISiS”, Russia

Magnetic state changes in the Co Zn TeO spinel family
15:15 O30 5-x x 8
Nicolas BARRIER, ENSICAEN, France

Motives of connectivity and spin-orbit interaction in kagome systems
15:35 O31
Peter LEMMENS, TU Braunschweig, Germany

15:55 CCOOFFFFEEEE BBRREEAAKK
Ferro and multiferroic Chairperson :
SESSION 12
compounds Shuiquan DENG
IInnvviitteedd TTaallkkss
Soft Chemical Routes to Multiferroic Materials
16:25 INV14
Mike HAYWARD, University of Oxford, UK
OOrraall PPrreesseennttaattiioonnss
Emergent chiral spin structure and unconventional electronic states in the stacked-kagomé-
17:00 O32 layered Co Sn In S shandites
3 2‒x x 2
Mohamed A. KASSEM, Kyoto University, Japan

Epitaxially-strained GeTe as a prototype material for a microscopic understanding of bulk
17:20 O33 Rashba properties
Emilie BRUYER, Université de Rennes 1, France

AMnGe O (A = Ca or Sr) : effect of the divalent cation in the pyroxene structure : how to induce
2 6
17:40 O34 multiferroicity ?
Céline DARIE, Institut Néel, France

Persistent signature of type-II multiferroicity in nanostructured MnWO ceramics prepared via
4
18:00 O35 spark plasma sintering
Pascaline PATUREAU, University of Bath, UK & IMN Nantes, France

18:30 PPOOSSTTEERR SSEESSSSIIOONN
th
Tuesday 5

Chairperson :
SESSION 13 Modelling
Camille LATOUCHE
IInnvviitteedd TTaallkkss
Bridging first-principles calculations to Mössbauer spectra of defects in semiconductors
08:30 INV15
José COUTINHO, University of Aveiro, Portugal
OOrraall PPrreesseennttaattiioonnss
Describing the magnetic structure and origin of band gap on Ba CuOsO system ; density
2 6
functional theory approach
09:05 O36
Changhoon LEE, North Carolina State University, USA & Pohang University of Science and
Technology, Korea

Equation of state for solids
09:25 O37
Mike WHANGBO, North Carolina State University, USA

Structure and properties of mixed cobalt/manganese/iron tin clusters
09:45 O38
Tilo SOHNEL, University of Auckland, New Zealand

10:05 CCOOFFFFEEEE BBRREEAAKK

Chairperson :
SESSION 14 Exotic electronic phenomena
Olivier MENTRE
IInnvviitteedd TTaallkkss
Relativistic ferroelectrics : a novel class of multifunctional materials
10:35 INV16
Sylvia PICOZZI, Consiglio Nazionale delle Ricerche CNR-SPIN, Italy

Predicting new materials and their properties from first-principles with supercomputing
11:10 INV17
Kesong YANG, University of California San Diego, USA
OOrraall PPrreesseennttaattiioonnss
Electronic confinement in materials with artificial periodicity
11:45 O39
Ulrike LUDERS, Ensicaen Université de Caen Normandie, France

12:05 LLUUNNCCHH