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Many-body density-functional and Green function ab initio theories : achievements toward the Experiment

Mardi 13 décembre 2016 11:00 - Duree : 1 heure
Lieu : Salle "Louis Weil" E424 - Institut Néel -bâtiment E, 3ème étage, CNRS Polygone scientifique, 25 rue des martyrs, 38000 Grenoble

Orateur : Valerio OLEVANO (Institut NEEL et ETSF)

I could have chosen to talk on appealing, fashionable topics, like Dirac, Majorana and Weyl fermions. But the true ones, as rigorously established in elementary particle physics [1], and not as completely misunderstood in condensed matter [2]. I could also have chosen to bore you all talking on my recent, epochal discovery [3]. Mor e modestly, this will be an informal seminar in the hope to stimulate the interest on ab initio theories of experimental groups in the department/laboratory, suggest possible applications of these theories in their research programs, in the hope of collaborations with us. I will first present my own interests, essentially towards the development of both many-body density-functional and Green function theories to describe electronic excitations and spectroscopy. Then, taking examples from my present and past research activities and collaborations with the experiment, I will present my expertises. I will try to convince you about the high accuracy achieved by ab initio theories on the calculation of dielectric properties and energy-loss spectra in technological materials, like high-k HfO2 studied [4] at LETI in HREELS TEMs (in view of a TEM upgrade at NEEL). Or on the calculation of excitations, the momentum distribution and the dynamic structure factor S(q,w) in simple metals [5] and semiconductors [6], up to more complex HTSC (YBCO) [7], like measured at ESRF (trying a parallel with the S(q,w) of He4 and 3 at ILL). Or also applications to topics like the electronic structure and charge-density waves in transition-metal dichalcogenides [8] or other strongly-or-weakly correlated materials of interest for experimental groups at MCBT. Upon request I could present the ab initio possibilities on nano- and molecular electronics quantum transport [9]. Last and not least, I will conclude with our most recent work on the excitations in that one which has always to be considered as "The" system : Helium [10].

[1] P. B. Pal, "Dirac, Majorana, and Weyl fermions", Am. J. Phys. 79, 485 (2011).

[2] ... et multi al.

[3] [4] https://arxiv.org/abs/1410.3374 ; https://arxiv.org/abs/1601.08125 .

[5] https://arxiv.org/abs/1006.5591 ; https://arxiv.org/abs/1105.2338 ; https://arxiv.org/abs/1210.7195

[6] PRB 81, 085104, (2010) ; PRL 97, 237602, (2006)

[7] https://arxiv.org/abs/1011.1436

[8] https://arxiv.org/abs/1103.2104

[9] https://arxiv.org/abs/cond-mat/0611404 ; https://arxiv.org/abs/1102.1880 ; https://arxiv.org/abs/1504.07153

[10] https://arxiv.org/abs/1611.07456

Contact : lilian.de-coster@neel.cnrs.fr

Discipline évènement : (Physique)
Entité organisatrice : (Institut Néel / MCBT)
Nature évènement : (Séminaire)
Site de l'évènement : Polygone scientifique

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