Séminaire DCMI – Axes 4 et 5 présenté par Paul STEADMAN

Speaker: Paul STEADMAN (Responsable de la ligne I10 au Synchroton Diamond)

Abstract : A study of the electric current induced hysteresis in Pt/CoFeTaB thin films revealed an unexpected behaviour in the hysteresis curves measured using polarised soft X-ray reflectivity [1]. Following a detailed study of the polarisation dependence of the reflected intensity [2] both detailed calculations and experimental data revealed that the switching is Y type (magnetisation switching perpendicular to the current), is very sensitive to external magnetic fields and that, rather bizarrely, only part of the film is switching. In addition the importance of non-linear dependence on the magnetic scattering and its dependence on polarisation and energy have been uncovered experimentally and explained with a very simple model.

  • [1] D. M. Burn, R. Fan, O. Inyang, M. Tokac¸ L. Bouchenoire, A. T. Hindmarch and P. Steadman, P. (2022). Phys. Rev. B, 106, 094429.
  • [2] Raymond Fan, Kiranjot, Razan O. M. Aboljadayel, Kalel Alsaeed, Peter, J. Synchrotron Rad. (2024). 31, 493–507

Séminaire Axe 1 et DON, présenté par Saad Yalouz

Orateur : Saad Yalouz (Laboratoire de Chimie Quantique de Strasbourg)

Résumé : In the realm of quantum computing, the characterization of many-body systems stands out as one of the most promising applications for emerging quantum platforms. While significant effort has been dedicated to developing near-term quantum algorithms for describing purely fermionic systems (particularly for Quantum Chemistry), there exists a gap in extending beyond the “bare” electronic structure to encompass the influence of an external environment. This gap becomes apparent when considering hybrid “fermion+boson” systems, which naturally arise when the electronic structure of a system interacts with an external bosonic field, such as photons or phonons. The theoretical description of such systems poses a considerable challenge, necessitating the depiction of entanglement between the two types of particles. Addressing this challenge defines an interesting target for quantum computers. In this presentation, I will delve into recent endeavors initiated at the Laboratoire de Chimie Quantique Strasbourg to tackle these questions. Drawing from a polaritonic chemistry problem, I will elucidate how we are currently designing near-term quantum algorithms to describe both ground and excited states in such systems

Contact : Paul-Antoine Hervieux  

Séminaire DMONS présenté par Kshirsagar Aseem RAJAN

  1. Light tunable gas adsorption in functionalized metal-organic frameworks: insights from ab initio methods Metal-organic frameworks (MOFs) functionalized with azobenzene, a photo-isomerizing molecule, are capable of light stimulated capture and release of CO2. Using ab initio density functional theory (DFT) based atomistic modelling, the microscopic mechanism behind the light tunable gas uptake in azobenzene functionalized MOF-5 is revealed to be the blocking and unblocking of the metal-node, by distinct geometric configurations of azobenzene. A practical environment-consistent Bethe-Salpeter equation (BSE) approach is used for an accurate description of the photo-excitations of the photo switches to propose strategies for achieving high yields of photo switching. Our study also shows that electronic excitations in the prototype MOF-5 give rise to strongly bound states of electron-hole pair, analogous to organic insulators.
  2. Modulation of magnetization in BiFeO3 using circularly polarized light Dynamic and efficient control of the characteristic spin texture of multiferroic BiFeO3 is attractive for emerging quantum devices. Crystal-field d → d excitations localized on Fe atomic sites in BiFeO3 induce a complex interplay among the spin, charge and lattice degrees of freedom, making them relevant for manipulation of the spin texture. Ab initio methods based on the GW approximation and the BSE are used to characterize localized spin-flip excitations within Fe-3d shell. These excitations are strongly bound and appear deep within the electronic gap. Their spin-content and strong localization are protected by the antiferromagnetic ordering. The underlying crystal symmetry gives rise to chiral spin-flip exciton states localized on distinct Fe centers. These chiral excitons couple selectively to light of a particular circular polarization and are confined to a particular Fe magnetic sub-lattice. As a consequence, net spin- magnetization can be achieved using circularly polarized light coupling with exciton of desired chirality, thereby modulating the antiferromagnetic texture and giving rise to transient ferrimagnetism.
  3. Future directions: Understanding charge-lattice-spin coupling using ab initio methods
    In transition-metal oxides, localized excitons can give rise to a complex interplay of spin-charge-lattice degrees of freedom. I intend to motivate and sketch an investigation of the coupling of these excitons with lattice motion and its relevance for optomechanical control.

Pour tout contact : Mébarek ALOUANI : mebarek.alouani@ipcms.unistra.fr