Addressable transition metal complexes as models for quantum bits and logic gates
The project concerns the design, development and study of spin dynamics in binuclear transition metal complexes
as models for quantum logic gates. The first part focuses on Cu(II) complexes. The second part explores Fe(II)-
based complexes that can be optically addressed in the visible range. The complexes will first be characterized by
continuous-mode electron paramagnetic resonance (EPR) spectroscopy to highlight the quantum bit behavior of
the mononuclear complexes used to form the binuclear species. Detailed studies of spin-lattice relaxation time (T1)
and spin-spin relaxation time (coherence time, T2) will then be carried out using pulsed EPR. Studies on
addressable complexes (mononuclear and possibly binuclear) will determine the impact of the presence of one
paramagnetic center on the coherence time of another within the binuclear entity, enabling the robustness of
quantum logic gates manipulatable by visible light to be assessed.
Ultrafast spin currents and ferroic oxides
This PhD thesis lies at the intersection of ultrafast spintronics and the physics of spin currents on sub-picosecond timescales. Pure spin currents are currently attracting considerable attention due to their central role in the development of next-generation spintronic devices. As data consumption continues to grow exponentially, information and communication technologies must process increasingly large volumes at higher speeds, all while minimizing energy consumption. In this context, ultrafast information processing has become a major challenge.
Pure spin currents offer several decisive advantages: in addition to their dissipationless propagation, they can now be generated, transmitted, and detected on timescales of just a few hundred femtoseconds. This progress paves the way for the emergence of ultrafast spintronic components and devices operating in the terahertz range.
The aim of this thesis project is to investigate the fundamental mechanisms governing the generation and propagation of pure spin currents on picosecond and sub-picosecond timescales, with a particular focus on ferroic oxides. These materials exhibit a wide range of remarkable and tunable properties, making them ideal candidates for enabling ultrafast spin current functionalities and addressing the societal challenges of tomorrow.
The core of this thesis work will involve the implementation of time-resolved optical and magneto-optical techniques to probe the ultrafast magnetic dynamics in epitaxial thin films of ferromagnetic and antiferromagnetic oxides. The main expected outcomes include overcoming key bottlenecks: on one hand, the tunability of ultrafast spin current generation through the half-metallicity of selected ferromagnetic oxides; and on the other hand, the control of spin information propagation at terahertz frequencies in antiferromagnetic oxides.
In situ study of the impact of the electric field on the properties of chalcogenide materials
Chalcogenide materials (PCM, OTS, NL, TE, FESO, etc.) are the basis of the most innovative concepts in microelectronics, from PCM memories to the new neuromorphic and spinorbitronic devices (FESO, SOT-RAM, etc.). Part of their operation relies on out-of-equilibrium physics induced by the electronic excitation resulting from the application of an intense electric field. The aim of this thesis is to measure experimentally on chalcogenide thin films the effects induced by the intense electric field on the atomic structure and electronic properties of the material with femtosecond (fs) time resolution. The 'in-operando' conditions of the devices will be reproduced using a THz fs pulse to generate electric fields of the order of a few MV/cm. The induced changes will then be probed using various in situ diagnostic methods (optical spectroscopy or x-ray diffraction and/or ARPES). The results will be compared with ab initio simulations using a state-of-the-art method developed with the University of Liège. Ultimately, the ability to predict the response of different chalcogenide alloys on time scales fs under extreme field conditions will make it possible to optimise the composition and performance of the materials (e- switch effect, electromigration of species under field conditions, etc.), while providing an understanding of the underlying fundamental mechanisms linking electronic excitation, evolution and the properties of the chalcogenide alloys.
Optimising the durability of high-temperature metal alloys: exploring new oxidation conditions
The aim of the OPTIMIST exploratory project is to increase the service life of metal alloys (alumina and chromia forming alloys) by forming a protective oxide layer, as is almost always the case to protect alloys from corrosion. The great originality of OPTIMIST will consist in forming an oxide layer with a minimum of 0D (point defects) and 2D (grain boundaries) structural defects. This objective will be based on two distinct strategies: the first will consist of forming a so-called endogenous oxide layer, i.e. by pre-oxidising the substrate by carefully choosing the pre-oxidation conditions (temperature, oxidising medium, oxygen partial pressure) in two types of Rhines Pack specifically developed at CEA/DES and IJL; the second will consist of forming a so-called exogenous oxide layer, i.e. created by a deposition technique: the HiPIMS recently commissioned at the CEA/INSTN. Different pre-oxidation conditions (for the endogenous layer) and process conditions (for the exogenous layer) will be investigated, then their 0D and 2D defects will be characterised at SIMaP using a novel combination of cutting-edge structural (TEM-ASTAR), chemical (atom probe, SIMS, nano-SIMS) and electronic (PEC PhotoelEctroChemistry) techniques. Finally, these characterised samples will be corroded in two environments (in air and in molten salts) at high temperatures to assess the effectiveness of the protection compared with conventional pre-oxidation. The stages of oxide growth, its stoichiometry and its microstructure (grain size and shape, nature of the grain boundaries) will thus be identified as a function of the endo and exogenous growth conditions so as to control them in order to achieve an oxide layer containing as few defects as possible.
Machine Learning-Accelerated Electron Density Calculations
Density Functional Theory (DFT) in the Kohn-Sham formalism is one of the most widespread methods for simulating microscopic properties in solid-state physics and chemistry. Its main advantage lies in its ability to strike a favorable balance between accuracy and computational cost. The continuous evolution of increasingly efficient numerical techniques has constantly broadened the scope of its applicability.
Among these techniques that can be associated with DFT, machine learning is being used more and more. Today, a very common application consists in producing potentials capable of predicting interactions between atoms using supervised learning models, relying on properties computed by DFT.
The objective of the project proposed as part of this thesis is to use machine learning techniques at a deeper level, notably to predict the electronic density in crystals or molecules. Compared to predicting properties such as forces between atoms, calculating the electronic density presents certain challenges: the electronic density is high-dimensional since it must be calculated throughout all space; its characteristics vary strongly from one material to another (metals, insulators, charge transfer, etc.). Ultimately, this can represent a significant computational cost. There are several options to reduce the dimensionality of the electronic density, such as computing projections or using localization functions.
The final goal of this project is to be able to predict, with the highest possible accuracy, the electronic density, in order to use it as a prediction or as a starting point for calculations of electron-specific properties (magnetism, band structure, for example).
In a first stage, the candidate will be able to implement methods recently proposed in the literature; in a second part of the thesis, it will then be necessary to propose new ideas. Finally, the implemented method will be used to accelerate the prediction of properties of large systems involving charge transfers, such as defect migration in crystals.
Interface physics of ferroelectric AlBN/Ga2O3 and AlBN/GaN stacks for power electronics
Commercial aviation accounts for about 2.5% total world CO2 emissions (1bT). A true, long-term, clean perspective eliminating a significant part of CO2 emissions is electric. One viable solution could be the hybrid airplane in which gas turbines are used for take-off and landing and in-flight cruising is electrically powered. Such a solution requires high voltage components. Fundamental research is required to optimize materials for integration into electronic components, capable of sustaining these power ratings.
The original idea of the Ferro4Power proposal is to increase the range of applications of Ga2O3 and GaN based devices by introducing a high breakdown, power electronics compatible, ferroelectric layer into the device stack. The up or down polarization state of the ferroelectric layer will provide an electric field capable of modulating the Ga2O3 and GaN valence and conduction bands, and hence the properties of possible devices, such as Schottky diodes (SBD), hybrid depletion mode transistors for Ga2O3 and high frequency HEMTs for GaN. Our hypothesis is to control the electronic bands of Ga2O3 and GaN using an adjacent AlBN.
We will explore the chemistry and electronic structure of AlBN/Ga2O3 and AlBN/GaN interfaces, focusing on the key phenomena of polarization screening, charge trapping/dissipation, internal fields. The project will use advanced photoelectron spectroscopy techniques including synchrotron radiation induced Hard X-ray photoelectron spectroscopy and Photoemission electron microscopy as well as complementary structural analysis including high-resolution electron microscopy, X-ray diffraction and near field microscopy.
The results should therefore be of interest to both physicists studying fundamental aspects of functionality in artificial heterostructures and engineers working in R & D applications of power electronics.
Merging Optomechanics and Photonics: A New Frontier in Multi-Physics Sensing
Optomechanical sensors are a groundbreaking class of MEMS devices, offering ultra-high sensitivity, wide bandwidth, and seamless integration with silicon photonics. These sensors enable diverse applications, including accelerometry, mass spectrometry, and gas detection. Optical sensors, leveraging photonic integrated circuits (PICs), have also shown great potential for gas sensing.
This PhD focuses on developing a hybrid multi-physics sensor, integrating optomechanical and optical components to enhance sensing capabilities. By combining these technologies, the sensor will provide unprecedented multi-dimensional insights, pushing MEMS-enabled silicon photonic devices to new limits.
At CEA-Leti, you will access world-class facilities and expertise in MEMS fabrication, photonics, and sensor integration. Your work will involve:
-Sensor Design – Using analytical Tools and simulation software for numerical analysis to optimize device architecture.
-Cleanroom Fabrication – Collaborating with CEA’s expert teams to develop the sensor.
-Experimental Characterization – Conducting optomechanical and optical evaluations.
-Benchmarking & Integration – Assessing performance with optics, electronics, and fluidics.
This PhD offers a unique chance to merge MEMS and silicon photonics in a cutting-edge research environment. Work at CEA-Leti to pioneer next-generation sensor technology with applications in healthcare, environmental monitoring, and beyond. Passionate about MEMS, photonics, and sensors? Join us and help shape the future of optomechanical sensing!
Electronic effects dans les cascades de collisions dans le GaN
In radiation environments like space and nuclear plants, microelectronic devices are subject to intense flux of particles degrading the devices by damaging the materials they are made of. Particles collide with atoms of the semi-conducting materials, ejecting them for their lattice site. Those displaced atoms also collide and set in motion a new generation of atoms, and so on, leading to a cascade of collisions which creates defects in the material. Moreover, primary or secondary particles (created following interaction with a neutron for example) also specifically interact with electrons of the target material, and lose kinetic energy in doing so by promoting electrons to higher energy bands. This aspect is called electronic stopping. Simulations of collision cascades must therefore describe both nuclei-nuclei collisions and electronic stopping effects.
The preferred method for collision cascades simulations at the atomic scale is Molecular Dynamics (MD). However, electronic effects are not included in this method as electrons are not taken into account explicitly. To circumvent this issue, additional modules have to be employed on top of MD to model electronic effects in a collision cascade. The state-of-the-art regarding electronic stopping simulation of a projectile in a target material is the real time - time dependent density functional theory (RT-TDDFT). The purpose of this thesis is to combine MD and RT-TDDFT to perform collision cascades simulations in GaN and study the influence of electronic effects. In addition to skills common to all thesis, the candidate will develop very specific skills in different atomic scale simulation methods, solid state physics, particle-matter interactions, linux environment and programming.
Measurement of the speed of sound in H2 and He, key components of gas giant interiors.
The goal of this thesis is to study hydrogen-helium mixtures in the fluid phase under high pressure and high temperature using Raman and Brillouin spectroscopy. The experiments will be conducted in a diamond anvil cell with laser heating, allowing exploration of a wide range of pressure and temperature conditions representative of the interiors of gas giant planets (1-300 GPa, 300-4000 K). Raman spectroscopy will be used to probe possible chemical changes occurring under extreme conditions, while Brillouin spectroscopy will provide access to the adiabatic sound velocity and the equations of state of these fluid mixtures. These data will be particularly useful for improving the modeling of Jupiter and Saturn’s interiors.
Study of the thermomechanical properties of solid hydrogen flows
IRIG's Department of Low Temperature Systems (DSBT) is developing several research themes around cryogenic solid hydrogen and its isotopes. The applications of this research range from the production of renewable micrometre-sized solid hydrogen targets for the generation of high-energy protons for laser-plasma acceleration, to the formation and injection of millimetre- or centimetre-sized hydrogen ice cubes for the supply and control of plasma in fusion reactors using magnetic or inertial confinement. A cross-cutting issue in these applications is the need for a detailed understanding of the mechanical properties of solid hydrogen, in order to gain a better understanding of the physics of extrusion and target production, as well as the formation and acceleration of icicles for injection into fusion plasmas.
The subject of this thesis focuses on the study of solid hydrogen extrusion under pressure. Using this technology, the DSBT has been developing several cryostats for over 10 years, enabling the production of ribbons of solid hydrogen, ranging in size from a few millimetres to a few tens of micrometres, extruded at speeds of a few millimetres per second.
The main objective of the research is to gain a better understanding of extrusion mechanisms to enable the development of numerical predictive tools for extrusion system design. This experimental thesis will be based on cryogenic rheometry using a capillary rheometer and/or a duvet experiment developed during a previous thesis. This study will be carried out in collaboration with the Laboratoire de Rhéologie et Procédés at Grenoble Alpes University.