Complex intermetallic compounds belong to a class of materials characterized by a large unit cell, containing several tens to several thousands of atoms, usually arranged into regularly packed clusters of high symmetry. It includes intermetallic quasicrystals and their periodic approximants, but also cage compounds like intermetallic clathrates. Their potential is based on their unique electronic and atomic structures: each of the thousands of binary intermetallic compounds known so far has the potential to behave as a new material, opening a vast field to be explored.
The study of complex intermetallic surface structures and properties is a very active research subject motivated by their original properties potentially useful for various applications - as coatings or catalysts for example. But aside from niche applications for vacuum technologies, surfaces interact with their environment. The objective of the thesis is to determine the influence of the complexity on the oxide layer and the modifications of the surface atomic and electronic structure of complex intermetallics, induced by oxidation. It is a first step towards understanding the functional properties of these surfaces under real conditions of use.
This project will take place at the Jean Lamour Institute (IJL), on the campus Artem Nancy, gathering more than 5000 people including 3500 students. This project has an international dimension and takes place within the 'Integrated European Center for the Development of New Alloys and Metallic Compounds' and the International Lab between IJL and the Joseph Stefan Institute (JSI, Ljubljana, Slovenia). Strong interactions are expected with experimentalists.
The deadline for the application is given for indicative purposes only: the thesis may start from April 2019, and no later than September 1, 2019.
Successful candidates should hold (or be about to receive) a master's degree in materials science, or solid state chemistry / physics, including knowledge of quantum mechanics and statistical physics. Good communication skills are expected, programming skills would be a plus.
K. Anand, H. D. Nguyen, M. Baitinger, C. Allio, C. Krellner, Y. Grin, J. Ledieu, V. Fournée, É. Gaudry
Ba8Au5.25Ge40.75(110): A Nano-Caged Surface Electronically Controlled by Ba and Au Adatoms J. Phys. Chem. C 122 29298-29306 (2018)
D. Kandaskalov, V. Fournée, J. Ledieu, É. Gaudry
Catalytic Semi-Hydrogenation of Acetylene on the (100) Surface of the o-Al13Co4 Quasicrystalline Approximant: Density Functional Theory Study
J. Phys. Chem. C, 121 (34) 18738-18745 (2017)
J. Ledieu, É. Gaudry, V. Fournée
Surfaces of Al-based Complex Metallic Alloys,
Sci. Technol. Adv. Mater., 15 034802 (2014)
S. Alarcón Villaseca, L. Serkovic Loli, J. Ledieu, V. Fournée, P. Gille, J.-M. Dubois and É. Gaudry
Oxygen adsorption on the Al9Co2(001) surface: first-principles and STM study,
Journal of Physics: Condensed Matter, 25, 355003 (2013)
Density Functional Theory, Surfaces and Interfaces, Complex Intermetallic Compounds, Atomic and Electronic Structures, towards operando conditions
Application deadline 31/05/19
Duration 36 months
Start date 01/09/19
Creation date 31/01/19
Level of French required None
Level of English required B2 (upper-intermediate)
Annual tuition fee 400 € / yearContinue reading
|Title||PhD position - Complex Intermetallic / Oxide Interfaces: Theoretical Approach at the Atomic Scale|
|Employer||Lorraine Université d'Excellence (LUE)|
|Job location||34 Cours Léopold, 54000 Nancy|
|Published||February 13, 2019|
|Application deadline||May 31, 2019|
|Job type||PhD  |
|Fields||Statistics,   Materials Chemistry,   Solid-state Chemistry,   Surface Chemistry,   Atomic, Molecular and Optical Physics,   Materials Physics,   Quantum Physics,   Solid-state Physics,   Theoretical Physics,    and 1 more. Mechanics  |