News & Events

News & Events

Jan, 2019 - Apr, 2019

Speaker: Prof Andrea Cavalleri
Affiliation: Director Max Planck Institute for the Structure and Dynamics of Matter / Department of Physics, University of Oxford
Abstract Details:

I will discuss how coherent electromagnetic radiation at infrared and TeraHertz frequencies can be used to drive collective excitations in solids nonlinearly. I will discuss how targeted excitation can be use to induce ordered states, with new symmetries not found at equilibrium. I will cover the physics of driven alkali doped fullerenes, in which driving can induce transient superconducting order and experiments in graphene, in which light can be used to induce a Floquet topological insulating state.


About the Speaker:

Andrea Cavalleri is the founding director of the Max Planck Institute for the Structure and Dynamics of Matter in Hamburg (Germany) and a professor of Physics at the University of Oxford (UK). After receiving a laurea degree from the University of Pavia (Italy), he held graduate, postgraduate, and research staff positions at the University of Essen (Germany), at the University of California, San Diego (US), and at the Lawrence Berkeley National Laboratory (US). He joined the Oxford faculty in 2005.

He is best known for his experiments in which intense TeraHertz pulses are used to drive large amplitude and coherent lattice distortions in solids, manipulating their electronic properties, and for demonstrating that one can induce non-equilibrium superconductivity far above the thermodynamic transition temperature. Motivated by the need to probe driven lattices, he has also been majorly involved in the development of ultrafast X-ray techniques, since their inception in the late 1990s through their modern incarnation at X-ray Free Electron Lasers.

Cavalleri is a recipient of the 2004 European Science Foundation Young Investigator Award, of the 2015 Max Born Medal from the IoP and the DFG, of the 2015 Dannie Heineman Prize from the Academy of Sciences in Goettingen and of the 2018 Isakson Prize from the American Physical Society. He is a fellow of the APS, of the AAAS, and of the IoP. In 2017, he was elected Member of the Academia Europaea.

Prizes, Awards and other Distinctions
Frank Isakson Prize - American Physical Society - 2018
Elected Fellow of the European Academy of Sciences - 2018
Elected Member of the Academia Europaea - 2017
Elected Fellow of the American Association for the Advancement of Science - 2016
Max Born Medal and Prize - UK Institute of Physics & German Physical Society - 2015
Dannie Heinemann Prize of the Academy of Sciences and Humanities in Göttingen - 2015
Elected Fellow of the Institute of Physics - UK - 2015
ERC Synergy Grant Award (with A. Georges, J.M. Triscone, D. Jaksch) - 2013
Medaglia Teresiana - Universita’ di Pavia, Italy - 2012
2012 Ångström Lecturer - Uppsala University - 2012
Elected Fellow of the American Physical Society - 2011
European Young Investigator Award - European Science Foundation - 2004
David Shirley Award for outstanding scientific achievement - Advanced Light Source - Lawrence Berkeley National Laboratory - 2004


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Speaker: Dr. Johannes Lischner
Affiliation: Department of Materials Imperial College London
Abstract Details: I will discuss two approaches for modifying the electronic structure of 2d materials. First, I will show how charged defects give rise to shallow bound states in semiconducting transition-metal dichalcogenides. Interestingly, the character of the lowest-lying impurity states depends sensitively on the defect charge – both its sign and magnitude. Then, I will discuss twisted bilayer graphene which has attracted considerable attention in recent months because of the experimental observation of significant electron correlation effects and even unconventional superconductivity. These findings are explained using advanced electronic structure methods based on the renormalization group.
About the Speaker: I am a Lecturer in the Department of Materials and a Royal Society University Research Fellow in the Department of Materials and the Department of Physics at Imperial College London. I am also the Assistant Director of the Centre for Doctoral Training in Theory and Simulation of Materials at Imperial College. I obtained a Ph.D. in physics from Cornell University in 2010 working in the group of Prof. Tomas Arias. From 2010 to 2014, I was a postdoctoral researcher at UC Berkeley and Lawrence Berkeley National Lab in the groups of Prof. Steven Louie and Prof. Marvin Cohen.
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Speaker: Dr Noah Fanqi Yuan
Affiliation: Department of Physics, Massachusetts Institute of Technology
Abstract Details:

Recently, unconventional superconducting phase and correlated insulating phase in twisted bilayer graphene have attracted a lot of attention, which occurs at specific fillings and within a narrow range of twist angles (so-called magic angle). In this talk, I would like to address the following questions.

  1. What are the suitable models to describe the electronic states in twisted bilayer graphene?
  2. Why is the “magic angle” so special?
  3. What are the possible superconducting and insulating phases at half filling?

Related topics such as strain effects and other superlattices will be discussed.


About the Speaker:

I got my Ph. D. in The Hong Kong University of Science and Technology in 2017, and now work as a
postdoc in Liang Fu’s group at MIT.
I’m mainly interested in superconductivity and topological phases in 2D materials. During my Ph. D.
research, I studied topological superconductors, Majorana zero modes, and spin-orbit coupling effect in
superconductivity (so-called Ising superconductivity).
Currently I’m interested in the unconventional superconducting and correlated insulating phases in
twisted bilayer graphene and other related systems.

SELECTED PUBLICATIONS
1. Noah F. Q. Yuan, Hiroki Isobe, Liang Fu, Magic of high-order van Hove singularity, arXiv:
1901.05432 (2019).
2. Noah F. Q. Yuan and Liang Fu, Model for the metal-insulator transition in graphene superlattices
and beyond, Phys. Rev. B 98, 045103 (2018). Editors’ Suggestion & Featured in Physics.
3. M. Koshino, Noah F. Q. Yuan, T. Koretsune, M. Ochi, K. Kuroki, L. Fu, Maximally-localized
Wannier orbitals and the extended Hubbard model for the twisted bilayer graphene, Phys. Rev. X 8,
031087 (2018).
4. H. Isobe, Noah F. Q. Yuan, L. Fu, Superconductivity and Charge Density Wave in Twisted Bilayer
Graphene, Phys. Rev. X 8, 041041 (2018).
5. Noah F. Q. Yuan, Wen-Yu He, K. T. Law, Superconductivity-Induced Ferromagnetism and Weyl
Superconductivity in Nb-doped Bi2Se3, Phys. Rev. B 95, 201109(R) (2017).
6. Junying Shen , Wen-Yu He , Noah F. Q. Yuan , Zengle Huang , Seng Huat Lee , Yew San Hor , Kam
Tuen Law , Chang-woo Cho and Rolf Lortz, Nematic topological superconducting phase in Nb-doped
Bi2Se3, npj Quantum Materials 2, 59 (2017).
7. Benjamin T. Zhou, Noah F. Q. Yuan, Hong-Liang Jiang, and K. T. Law, Ising Superconductivity and
Majorana Fermions in Transition Metal Dichalcogenides, Phys. Rev. B 93, 180501(R) (2016).
8. J. M. Lu, O. Zeliuk, I. Leermakers, Noah F. Q. Yuan, U. Zeitler, K. T. Law, J. T. Ye, Evidence for
two-dimensional Ising superconductivity in gated MoS2, Science 350, 1353 (2015).
9. Noah F. Q. Yuan, Kin Fai Mak, and K. T. Law, Possible Topological Superconducting Phases of
MoS2, Phys. Rev. Lett. 113, 097001 (2014).


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Speaker: Prof. Kristian Sommer Thygesen
Affiliation: Department of Physics, Technical University of Denmark, Denmark
Abstract Details:

The family of atomically thin two-dimensional (2D) materials, which started with graphene, has expanded rapidly over the past few years and now includes insulators, semiconductors, metals, ferromagnets, and superconductors. This development has prompted an explosion in envisioned applications ranging from batteries and catalysis to photovoltaics, electronics, and photonics. In parallel with this development, the possibility of stacking different 2D materials into van der Waals heterostructures has opened new routes for designing atomically flat heterostructures with tailored properties. I will show how the electronic and optical properties of 2D materials and their heterostructures can be accurately predicted by combining classical electrostatic models with many-body quantum mechanics, and high-performance computing. I will give examples from our recent research focusing on 2D structures with tunable band structures, excitons, and plasmons[1]. Finally, I will present our recent efforts to establish a comprehensive database of 2D materials using an automatic high-throughput framework (http://c2db.fysik.dtu.dk) and show how it can be used to identify 2D materials with interesting physical properties such as ferromagnetism and non-trivial topology[2].


References:
[1] Calculating excitons, plasmons, and quasiparticles in 2D materials and van der Waals heterostructures, K. S. Thygesen, 2D Materials 4, 022004 (2017)

[2] The Computational 2D Materials Database: High-throughput modeling and discovery of atomically thin crystals, S. Haastrup et al. 2D Materials 5, 042002 (2018)


About the Speaker:

Prof. Kristian S. Thygesen earned his PhD degree in Physics from the Technical University of Denmark (DTU) in 2005. After a post doctoral position at Freie University Berlin he returned to DTU where he became Associate Professor in 2010 and leader of the Molecular Electronics group at the Lundbeck Foundation’s Center for Atomic-scale Materials Design (CAMD). He was Director of NanoDTU from 2009-2010 and has been Spokesperson for Psi-k working group on Quantum Transport in Nanostructures since 2009. In 2013 he became Professor at the Department of Physics at DTU and in 2015 he became leader of the Section for Computational Atomic-scale Materials Design.
Recently, his research focuses on the development of first-principles methods for the description of ground- and excited state properties of solids and low-dimensional systems. He co-develops the GPAW electronic structure code, and the Computational Materials Repository (http://c2db.fysik.dtu.dk/), holds the ERC grant LIMA, and is member of th Center for Nanostructured Graphene (http://www.cng.dtu.dk) and the Center for Novel Materials Discovery (https://www.nomad-coe.eu)


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Speaker: Prof. Hannu Häkkinen
Affiliation: University of Jyväskylä, Finland
Abstract Details:

The last decade has seen a remarkable development in the science of ligand-stabilized noble metal nanoclusters, when synthesis, purification and characterization methods have been refined to produce reproducibly an array of atomically precise compounds with metal cores ranging from sub-nanometer to three nanometers. (1,2) Recipes exist now for synthesis of ambient-stable gold- and silver-based clusters, which can also be doped by other coinage metals and protected by various organic ligands that control the solubility and interactions of the clusters with the environment. Variation of size and shape of the metal core gives control over the physical properties, for instance, the band gap can be tuned from semiconducting to metallic regime. These rather stable building blocks can be expected to find diverse applications. One of the important challenges for the coming years is to learn to control macroscopic assemblies of these well-defined building blocks to produce materials with desired or sometimes surprising novel properties. This talk reviews some recent attempts where well-defined, thiolate-stabilized gold nanoclusters have been used to assemble hybrid inorganic-organic materials or where directed or spontaneous assemblies have been discovered. Specifically, these examples are discussed: (i) Site-specific binding of Au102(p-MBA)44 clusters to enterovirus capsid by covalent or weak (hydrophobic) interactions (3,4); (ii) dimers, trimers, tetramers of Au102(p-MBA)44 and Au~250(p-MBA)~90 clusters linked by molecular (dithiolate) bridges (5); and (iii) Au102(p-MBA)44 clusters self-assembled to colloidal plate nanocrystals or light-weight micrometer-scale materials composed of empty 3D capsids of clusters producing <10% volume filling ratio in the material.(6)


References:
1. T. Tsukuda and H. Häkkinen (eds.), Protected Metal Clusters: From Fundamentals to Applications, Elsevier, 2015.
2. H. Yang, Y. Wang, X. Chen, X. Zhao, L. Gu, H. Huang, J. Yan, C. Xu, G. Li, J. Wu, A. Edwards, B. Dittrich, Z. Tang, D. Wang, L. Lehtovaara, H. Häkkinen, and N. Zheng Plasmonic twinned silver nanoparticles with molecular precision, Nature Comm. 7, 12809 (2016).
3. V. Marjomäki, T. Lahtinen, M. Martikainen, J. Koivisto, S. Malola, K. Salorinne, M. Pettersson and H. Häkkinen, Site-specific targeting of enterovirus capsid by functionalized monodisperse gold nanoclusters, Proc. Natl. Acad. Sci. USA 111, 1277 (2014).
4. M. Martikainen, K. Salorinne, T. Lahtinen, S. Malola, P. Permi, H. Häkkinen and V. Marjomäki, Hydrophobic pocket targeting probe for enteroviruses, Nanoscale 7, 17457 (2015).
5. T. Lahtinen, E. Hulkko, K. Sokolowska, T-R. Tero, V. Saarnio, J. Lindgren, M. Pettersson, H. Häkkinen and L. Lehtovaara, Covalently linked multimers of gold nanoclusters Au102(p-MBA)44 and Au~250(p-MBA)n, Nanoscale 8, 18665 (2016).
6. Nonappa, T. Lahtinen, J.S. Haataja, T.R. Tero, H. Häkkinen, and O.Ikkala, Template-free supracolloidal self-assembly of atomically precise gold nanoclusters: From 2D colloidal crystals to spherical capsids, Angew. Chemie Int. Ed. (2016), doi: 10.1002/anie.201609036


About the Speaker:

Hannu Häkkinen is Professor in Computational Nanoscience at the University of Jyväskylä, Finland. His interests cover methods of electronic structure calculations of nanoparticles, nanostructures and solids. His group investigates electronic, optical, magnetic, chemical and catalytic properties of bare, supported, and ligand-protected metal nanoparticles, electrical conductivity of molecule-metal interfaces in nanostructures, and structural and chemical properties of metal nanoparticle / bionanoparticle (virus) hybrids. He has published over 220 peer-reviewed publications and was listed as "Highly Cited Researcher" by Clarivate Analytics in 2018, in the field of cross-disciplinary science. He is currently a research professor supported by the Academy of Finland 2016-2020 and a visiting professor in Xiamen University in China.


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Speaker: Professor Gao Libo
Affiliation: Nanjing University, China
Abstract Details:

Two-dimensional transition metal selenides possess fascinating physical properties. However, most as-prepared selenides are small in size and environmentally unstable, which greatly hinder their wide applications in high-performance electrical devices. Here we develop a general two-step vapour deposition method and successfully grow different selenide films with controllable thickness, wafer size and high crystalline quality. In stark contrast to the poor stability of most two-dimensional materials, these selenide films show superior environmental stability even after long time exposure or being heated in air, annealed in vacuum or immersed in aqueous solutions. The superconductivity of grown NbSe2 film is comparable with sheets cleavaged from bulks, and can well maintain after a variety of harsh treatments. The unique properties of these selenide films can be ascribed to the absence of oxygen during the whole growth process. Such unprecedented environmental stability could greatly simplify devices assembling procedure, and should be of both fundamental and technological significance in developing TMS-based devices with extraordinary performances.

References
[1] Xi, X. et al. Nat. Nanotech. 2015, 10, 765-770.
[2] Li, L. J. et al. Nature 2016, 529, 185-189.
[3] Ge, J.-F. et al. Nat. Mater. 2015, 14, 285-289.
[4] Wang, H. et al. Nat. Commun. 2017, 8, 394.
[5] Lin, H. et al. Nat. Mater. 2019 (accept)


About the Speaker:

Prof Libo Gao graduated from Institute of Metal Research, Chinese Academy of Sciences, with PhD degree in 2011. Then, he joined Graphene Research Centre, National University of Singapore during 2011 to 2015. After that, he joined Nanjing University with a full professor from May 2015. He focuses his research area in chemical vapor deposition (CVD) growth of graphene from 2008. His group in Nanjing University now focuses on the CVD growth of special graphene (nanocrystalline, nanoribbons, ultra-flat, etc..) and two dimensional superconductors (NbSe2, Mo2C, FeSe…). He has published 32 papers until now, which were cited by more than 8000 times.


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Speaker: Martin Kalbac
Affiliation: J. Heyrovsky Institute of Physical Chemistry, Dolejškova, Prague, Czech Republic
Abstract Details: Control of the electronic structure of carbon nanostructures is an important issue for their application in new nanoelectronic devices, sensors or in energy storage. The electronic structure of nanocarbons can be changed by chemical doping, electrostatic or electrochemical charging (gating). Electrochemical charging, mimics a double layer capacitor, where the charge carriers are injected into the system from the electrode and the electrolyte ions only compensate the injected charge. In–situ Raman spectroelectrochemistry is a well-established method for investigating the change in physical properties of carbon nanostructures during charging. Here, I will present the possibilities and challenges of this methodology in the study of nanoscale systems.

Functional groups on graphene can be used to actively tune the graphene interface properties. However, in order to preserve interesting properties of graphene one needs to use high quality single layer graphene as a starting material. Here I will show possible strategies to functionalize chemical vapor deposition grown graphene and also demonstrate application of the grafted chemical moieties. The role of the substrate, number of graphene layers and graphene pre-treatment will be revealed. I will also discuss appropriate methods to characterize functionalized large area graphene including direct identification of functional groups attached to graphene. Finally, I will show example of the targeted application of functional groups to optimize the interface between the polymer and the graphene and to enable directed mechanical motion of diamond nanoparticles on the graphene surface.
About the Speaker: Martin Kalbac graduated in inorganic chemistry from Charles University, Prague, Czech Republic, (1998), where he also received his Ph.D. degree in 2002. Since 2001 he has worked at the J. Heyrovsky Institute of Physical Chemistry of the Academy of Sciences of the Czech Republic. Currently, he is a vice-director of the institute and the head of the Department of Low dimensional Systems. His research interests include carbon nanotubes, graphene, Raman spectroscopy and spectroelectrochemistry, isotope engineering of carbon nanostructures, sensors and rational functionalization of surfaces and 2-D materials.
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Speaker: Jana Kalbacova Vejpravova
Affiliation: Department of Condensed Matter Physics, TSuNAMI group, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Prague, Czech Republic
Abstract Details:

The incursion of low-dimensional materials bared exciting physical phenomena underlying progressive concepts for nanoelectronics and quantum computing. However, the key functional principles of these species are usually accessible at rather extreme conditions as low temperatures and high magnetic fields, typically using magnetotransport experiments requiring a sufficiently conductive system and device fabrication. Thanks to the unique nature of Raman scattering processes in some classes of materials, precisious information about the electronic band structure can be obtained and non-trivial electronic degrees of freedom can be accesed and even controlled. In this talk, I will review current state of the art of the Raman spectroscopy and microscopy at cryomagnetic conditions. I will give several examples revealing the power of the approach like investigation of mixing of the non-trivial electronic states with phonons, in situ tracing of topographic states and defects mirrored in charge-strain spatial distribution of graphene and other 2Ds, classification of magnetic phase transitions and spin state switching in spin-crossover molecules. I will also give a brief summary of the experimental base available in our group and large national infrastructure Materials Growth and Measurement Laboratory MGML (see: http://mgml.eu) in context of the actual research projects carried out in our TSuNAMI group.


About the Speaker:

J.K.V. (*1980) received master's degree in chemistry (2003) and Ph.D. degree in condensed matter physics (2007) from the Charles University (CU), Prague. After postdoctoral stays in the Hasselt University, Belgium and NIMS, Japan she joined the Institute of Physics, Czech Academy of Sciences (2011) as a senior scientist, later headed a dept. of magnetic nanosystems (2013 – 2016). In 2017, she accepted a permanent position as an assoc. profesor in condesed matter physics in the Faculty of mathematics and physics, CU. Her focus covers 2D materials, nanocarbons, magnetic nanoparticles, f-electron systems, and experiments under cryogenic and magnetic environments. She received several prestigous awards and fundings (i.e. Scopus/Elsevier award, ERC Starting grant).


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Speaker: Stephan Roche
Affiliation: Catalan Institute of Nanoscience Nanotechnology, Campus UAB, Bellaterra, Spain ICREA, Institució Catalana de Recerca i Estudis Avancats, Spain
Abstract Details:

The physics of graphene can be strongly enriched and manipulated by harvesting the large amount of possibilities of proximity effects with magnetic insulators, strong spin-orbit coupling SOC materials (transition metal dichalcogenides (TMD), topological insulators (TI), etc.). Simultaneously, the presence of extra degrees of freedom (sublattice pseudospin, valley isospin) points towards new directions for information processing [1,2], extending the playground to valleytronics, multifunctional electronic devices or novel quantum computing paradigms harnessing all these degrees of freedom in combination with electromagnetic fields or other external fields (strain, chemical functionalization) [2,3].
Here I will present some foundations of spin transport for Dirac fermions propagating in supported graphene devices or interfaced with strong SOC materials, with a particular emphasis on how spin dynamics is monitored by the nature of SOC induced in graphene by nearby TMDs and TIs. We will show that spin transport in these systems is distinguished by giant spin lifetime anisotropy, with spins oriented in the graphene plane relaxing much faster than spins pointing out of the plane [3-5]. This anisotropy arises from the specific nature of the SOC induced in the graphene layer, which depends crucially on the symmetry of the graphene/TMD & TI interfaces. In addition to serving as a probe of SOC induced in graphene, giant spin lifetime anisotropy may also prove useful for spintronics, for example serving as an orientation-dependent spin filter, or for enhancing spin Hall effect or spin-orbit torque efficiencies, in the perspective of spin torque technologies [6]. The presence of weak antilocalization effects and the confirmation of a giant Spin Hall effect in such heterostructures will be also reported [7,8].
Finally I will question the recent interpretation of giant non-local resistance in terms of bulk valley Hall currents in graphene/hBN heterostructures [9]. Our analysis suggests that the understanding of non-local transport properties requires advanced and realistic quantum transport calculations to account for subtle effects of edge physics in multiterminal transport measurements [10].
References
[1] S. Roche et al. 2D Materials 2, 030202 (2015). D.V. Tuan et al. Nature Physics 10, 857 (2014)
[2] D.V. Tuan & S. Roche, Phys. Rev. Lett. 116, 106601 (2016)
[3] A. Cummings, J.H. García, J. Fabian, S. Roche, Phys. Rev. Lett. 119, 206601 (2016)
[4] K. Song, D. Soriano, AW. Cummings, R. Robles, P. Ordejón, S. Roche, Nano Lett. 18, 2033(2018)
[5] D. Khokhriakov, A. Cummings, M. Vila, B. Karpiak, A. Dankert, S. Roche & S. Dash,
Science Advances 4 (9), eaat9349 (2018)
[6] J.H. García et al. Chem. Soc. Rev. 47, 3359-3379 (2018)
[7] J.H. García, A. Cummings, S. Roche, Nano Lett. 17, 5078 (2017)
[8] C.K. Safeer et al. Nano Lett. (arXiv:1810.12481, in press 2019)
[9] R. Gorbachev et al. Science 346 448 (2014)
[10] J. M. Marmolejo-Tejada et al. J. Phys. Materials. 1 (1), 015006 (2018);
A. Cresti et al. Rivista del Nuovo Cimento 39, 587 (2018)


About the Speaker:

Prof. Stephan Roche is a theoretician with more than 25 years' experience in the study of Condensed Matter physics and particularly the transport theory of low-dimensional systems, including graphene and two-dimensional materials, carbon nanotubes, semiconducting nanowires, organic materials, quasicrystals, DNA and topological insulators. After serving as assistant Professor at the Université Joseph Fourier-UJF, and as a staff researcher of the Commissariat à l´Energie Atomique (Grenoble, France), he became ICREA Research Professor in 2010 and since then he is leading the “Theoretical and Computational Nanoscience” group at the Catalan Institute of Nanoscience and nanotechnology (ICN2), a flagship institute of the member of the Barcelona Institute of Science and Technology (BIST). He studied theoretical physics at Ecole Normale Supérieure (Lyon-France) and got his PhD at UJF. He has worked in France, Japan, Germany and Spain.
He has published about 200 papers in scientific journals and is the co-author of “Introduction to Graphene-Based Nanomaterials: From Electronic Structure to Quantum Transport” (Cambridge University Press, 2014) as well as the co-Editor of “Topological Insulators, Fundamentals and Perspectives” (WILEY 2015), and “Understanding carbon nanotubes: from Basics to Applications” (Lectures Notes Phys. Springer 2006). He has served as member of the Editorial Boards of 2D Materials (IoP) and the Rivista Nuovo Cimento (Italian Physical Society) for the past 4 years, and he is Chief Editor of Journal of Physics Materials (IoP) since early 2018. In 2009 he was awarded the Friedrich Wilhelm Bessel Research Award by the Alexander Von-Humboldt Foundation (Germany) in recognition of his outstanding contributions to the field of Computational Nanosciences. Since 2011 he has been actively involved in the European Graphene Flagship project, and currently appointed as the deputy leader of the spintronic work package.


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Speaker: Stephan Roche
Affiliation: Catalan Institute of Nanoscience Nanotechnology, Campus UAB, Bellaterra, Spain ICREA, Institució Catalana de Recerca i Estudis Avancats, Spain
Abstract Details:

I will discuss charge and thermal transport in chemically and structurally complex forms of graphene accounting from substrate effects, polycrystalline morphology of CVD graphene (and h-BN), and chemically functionalization; all aspects being of crucial relevance for the development of applications in flexible and transparent electronics, energy harvesting and spintronics. After introducing some challenges about the modelling of graphene composites I will present some quantitative analysis of charge and thermal transport properties in graphene materials in presence of structural imperfections as produced during the wafer-scale production of graphene through chemical growth (CVD), the chemical transfer to versatile substrates, and the device fabrication. Fundamental properties of charge mobilities in polycrystalline graphene, accounting the variability in average grain sizes and chemical reactivity of grain boundaries as observed in real samples grown by CVD will be presented, together with their relevance for device optimisation and diversification of applied functionalities such as chemical sensing [1].
The development of multiscale simulation and predictive modelling will be shown to enable simulations of physical properties (dissipative and Hall conductivities and thermal conductance) in realistic models of very large system sizes (reaching easily the 1 billion atoms scale), matching the experimental and technology scales [2].
Bibliography
[1] A. Isacsson, A.W. Cummings, L. Colombo, L. Colombo, J.M. Kinaret, S. Roche, 2D Materials 4 (1), 012002 (2016); A.W. Cummings, D. Duong, V. Luan Nguyen, D. Van Tuan, J. Kotakoski, J.E. Barrios Vargas, Y. Hee Lee, S. Roche; Advanced Materials 26, Issue 30, 5079-5094 (2014); M. Seifert et al, 2D Mater. 2, 024008 (2015); D. Van Tuan, J. Kotakoski, T. Louvet, F. Ortmann, J. C. Meyer, S. Roche, Nano Lett. 13, 1730?1735 (2013)
[2] Z. Fan, J. H. Garcia, A.W. Cummings, J.-E. Barrios, M. Panhans, A. Harju, F. Ortmann, S. Roche, ´Linear Scaling Quantum Transport Methodologies´, arXiv:1811.07387 (accepted for publication in Review of Modern Physics). LEFF Torres, S. Roche, J.C. Charlier, ´Introduction to graphene-based nanomaterials: from electronic structure to quantum transport´, Cambridge University Press (2014)


About the Speaker:

Prof. Stephan Roche is a theoretician with more than 25 years' experience in the study of Condensed Matter physics and particularly the transport theory of low-dimensional systems, including graphene and two-dimensional materials, carbon nanotubes, semiconducting nanowires, organic materials, quasicrystals, DNA and topological insulators. After serving as assistant Professor at the Université Joseph Fourier-UJF, and as a staff researcher of the Commissariat à l´Energie Atomique (Grenoble, France), he became ICREA Research Professor in 2010 and since then he is leading the “Theoretical and Computational Nanoscience” group at the Catalan Institute of Nanoscience and nanotechnology (ICN2), a flagship institute of the member of the Barcelona Institute of Science and Technology (BIST). He studied theoretical physics at Ecole Normale Supérieure (Lyon-France) and got his PhD at UJF. He has worked in France, Japan, Germany and Spain.
He has published about 200 papers in scientific journals and is the co-author of “Introduction to Graphene-Based Nanomaterials: From Electronic Structure to Quantum Transport” (Cambridge University Press, 2014) as well as the co-Editor of “Topological Insulators, Fundamentals and Perspectives” (WILEY 2015), and “Understanding carbon nanotubes: from Basics to Applications” (Lectures Notes Phys. Springer 2006). He has served as member of the Editorial Boards of 2D Materials (IoP) and the Rivista Nuovo Cimento (Italian Physical Society) for the past 4 years, and he is Chief Editor of Journal of Physics Materials (IoP) since early 2018. In 2009 he was awarded the Friedrich Wilhelm Bessel Research Award by the Alexander Von-Humboldt Foundation (Germany) in recognition of his outstanding contributions to the field of Computational Nanosciences. Since 2011 he has been actively involved in the European Graphene Flagship project, and currently appointed as the deputy leader of the spintronic work package.


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