Theoretical physics and modelling

Two topics are currently pursued in the team: Mesoscopic quantum physics and ab initio descriptions of electronic properties of materials. In the case of Mesoscopic quantum physics, the aim is to capture the physical mechanisms underlying a given phenomenon, providing qualitative and quantitative descriptions of experimental data. Firstly, a suitable model which is  mathematically tractable and containing the essential ingredients is developed. Then, the model is solved by using analytical or numerical tools. The other axis aims at developing new computing methods giving a reliable description of the experimental results for the electronic structure and spin dependent transport of heterojunction materials devoted to spintronics technology. This study is undertaken by means of the spin-dependent density functional theory (DFT).

Research Teams

Ab initio electronic structure calculations

Members of the teams:

ATER, Magnetic Objects on the NanoScale (DMONS)thomas.allard@ipcms.unistra.fr
Phone: +33(0)3 88 10 72 66Office: 2102
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Professor, Magnetic Objects on the NanoScale (DMONS)Mebarek.Alouani@ipcms.unistra.fr
Phone: +33(0)3 88 10 70 06Office: 0008
Professor, Magnetic Objects on the NanoScale (DMONS)Rodolfo.Jalabert@ipcms.unistra.fr
Phone: +33(0)3 88 10 70 76Office: 2021
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PhD student, Magnetic Objects on the NanoScale (DMONS)florian.maurer@ipcms.unistra.fr
Phone: +33(0)3 88 10 72 66Office: 2102
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Postdoctoral fellow, Magnetic Objects on the NanoScale (DMONS)igor.ngaougnia@ipcms.unistra.fr
Phone: /Office: 1018a
PhD student, Magnetic Objects on the NanoScale (DMONS)remi.pasquier@ipcms.unistra.fr
Phone: +33(0)3 88 10 70 77Office: 1016
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PhD student, Magnetic Objects on the NanoScale (DMONS)gaetan.percebois@ipcms.unistra.fr
Phone: +33(0)3 88 10 72 66Office: 2102
Researcher, Magnetic Objects on the NanoScale (DMONS)Daniel.Stoeffler@ipcms.unistra.fr
Phone: +33(0)3 88 10 70 65Office: 1004
Assistant professor, Magnetic Objects on the NanoScale (DMONS)Guillaume.Weick@ipcms.unistra.fr
Phone: +33(0)3 88 10 72 62Office: 2104
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Senior Researcher, Magnetic Objects on the NanoScale (DMONS)Dietmar.Weinmann@ipcms.unistra.fr
Phone: +33(0)3 88 10 72 17Office: 2103
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Recent publications :

[1]
R. Vollondat, D. Stoeffler, D. Preziosi, S. Roques, A. Slaoui, T. Fix, Tunability of silicon clathrate film properties by controlled guest-occupation of their cages., Journal of Chemical Physics. 158 (2023) 164709. https://doi.org/10.1063/5.0143828.
[1]
V. Vlaminck, L. Temdie, V. Castel, M.B. Jungfleisch, D. Stoeffler, Y. Henry, M. Bailleul, Spin wave diffraction model for perpendicularly magnetized films, Journal of Applied Physics. 133 (2023) 053903. https://doi.org/10.1063/5.0128666.
[1]
K.A. Oukaci, D. Stoeffler, M. Hehn, M. Grassi, B. Sarpi, M. Bailleul, Y. Henry, S. Petit, F. Montaigne, R. Belkhou, D. Lacour, Oscillatory buckling reversal of a weak stripe magnetic texture, Materials Research Letters. 11 (2023) 789–795. https://doi.org/10.1080/21663831.2023.2238010.
[1]
N.G. Leumer, On symmetric Tetranacci polynomials in mathematics and physics, Journal of Physics A-Mathematical and Theoretical. 56 (2023) 435202. https://doi.org/10.1088/1751-8121/acfbcd.
[1]
X. Chen, G. Weick, D. Weinmann, R.A. Jalabert, Scanning gate microscopy in graphene nanostructures, Physical Review B. 107 (2023) 085420. https://doi.org/10.1103/PhysRevB.107.085420.
[1]
X. Chen, Z.-Q. Chen, L. Huang, C. Grebogi, Y.-C. Lai, Many-body spectral statistics of relativistic quantum billiard systems, Physical Review Research. 5 (2023) 013050. https://doi.org/10.1103/PhysRevResearch.5.013050.
[1]
V. Tokar I., Exact renormalization group equation for lattice Ginzburg-Landau models adapted to the solution in the local potential approximation, Journal of Statistical Mechanics-Theory and Experiment. 2022 (2022) 123202. https://doi.org/10.1088/1742-5468/aca0e6.
[1]
G.J. Percebois, D. Weinmann, R.A. Jalabert, G. Weick, Spontaneous orbital magnetization of mesoscopic dipole dimers, Physical Review B. 105 (2022) 085405. https://doi.org/10.1103/PhysRevB.105.085405.
[1]
R. Pasquier, K. Rassoul, M. Alouani, Inverse spin crossover in fluorinated Fe(1,10-phenanthroline)2(NCS) 2 adsorbed on Cu (001) surface, Computational Condensed Matter. 32 (2022) e00735. https://doi.org/10.1016/j.cocom.2022.e00735.
[1]
M. Grassi, M. Geilen, K.A. Oukaci, Y. Henry, D. Lacour, D. Stoeffler, M. Hehn, P. Pirro, M. Bailleul, Higgs and Goldstone spin-wave modes in striped magnetic texture, Physical Review B. 105 (2022) 044444. https://doi.org/10.1103/PhysRevB.105.094444.
[1]
B. Chowrira, L. Kandpal, M. Lamblin, F. Ngassam, C.-A. Kouakou, T. Zafar, D. Mertz, B. Vileno, C. Kieber, G. Versini, B. Gobaut, L. Joly, T. Ferté, E. Monteblanco, A. Bahouka, R. Bernard, S. Mohapatra, H. Prima Garcia, S. Elidrissi, M. Gavara, E. Sternitzky, V. Da Costa, M. Hehn, F. Montaigne, F. Choueikani, P. Ohresser, D. Lacour, W. Weber, S. Boukari, M. Alouani, M. Bowen, Quantum Advantage in a Molecular Spintronic Engine that Harvests Thermal Fluctuation Energy., Advanced Materials. Early access (2022) e2206688–e2206688. https://doi.org/10.1002/adma.202206688.
[1]
C. Blaas-Anselmi, F. Helluin, R. Jalabert, G. Weick, D. Weinmann, Asymmetric power dissipation in electronic transport through a quantum point contact, SciPost Phys. 12 (2022) 105. https://doi.org/10.21468/SciPostPhys.12.3.105.
[1]
T.F. Allard, G. Weick, Disorder-enhanced transport in a chain of lossy dipoles strongly coupled to cavity photons, Physical Review B. 106 (2022) 245424. https://doi.org/10.1103/PhysRevB.106.245424.
[1]
M.G. Viloria, G. Weick, D. Weinmann, R.A. Jalabert, Magnetic response of metallic nanoparticles: Geometric and weakly relativistic effects, Physical Review B. 104 (2021) 245428. https://doi.org/10.1103/PhysRevB.104.245428.
[1]
V.I. Tokar, Self-consistent renormalization group approach to continuous phase transitions in alloys: application to ordering in beta-brass, Journal of Statistical Mechanics-Theory and Experiment. (2021) 013215. https://doi.org/10.1088/1742-5468/abd941.
[1]
G.J. Percebois, D. Weinmann, Deep neural networks for inverse problems in mesoscopic physics: Characterization of the disorder configuration from quantum transport properties, Physical Review B. 104 (2021) 075422. https://doi.org/10.1103/PhysRevB.104.075422.
[1]
K. Katcko, E. Urbain, F. Ngassam, L. Kandpal, B. Chowrira, F. Schleicher, U. Halisdemir, D. Wang, T. Scherer, D. Mertz, B. Leconte, N. Beyer, D. Spor, P. Panissod, A. Boulard, J. Arabski, C. Kieber, E. Sternitzky, V. Costa, M. Hehn, F. Montaigne, A. Bahouka, W. Weber, E. Beaurepaire, C. Kubel, D. Lacour, M. Alouani, S. Boukari, M. Bowen, Encoding Information on the Excited State of a Molecular Spin Chain, Advanced Functional Materials. 31 (2021) 2009467. https://doi.org/10.1002/adfm.202009467.
[1]
A. Jaafar, I. Rungger, S. Sanvito, M. Alouani, Effect of a ferromagnetic STM cobalt tip on a single Co-phthalocyanine molecule adsorbed on a ferromagnetic substrate, Physics Open. 9 (2021) 100088. https://doi.org/10.1016/j.physo.2021.100088.
[1]
C. Gold, B.A. Bräm, M.S. Ferguson, T. Krähenmann, A. Hofmann, R. Steinacher, K.R. Fratus, C. Reichl, W. Wegscheider, D. Weinmann, K. Ensslin, T. Ihn, Imaging signatures of the local density of states in an electronic cavity, Physical Review Research. 3 (2021) L032005. https://doi.org/10.1103/PhysRevResearch.3.L032005.
[1]
K.R. Fratus, C.L. Calonnec, R.A. Jalabert, G. Weick, D. Weinmann, Signatures of folded branches in the scanning gate microscopy of ballistic electronic cavities, SciPost Physics. 10 (2021) 69. https://doi.org/10.21468/SciPostPhys.10.3.069.
[1]
K. Bjornson, J.M. Wills, M. Alouani, O. Granas, P. Thunstrom, C.S. Ong, O. Eriksson, In Situ Pseudopotentials for Electronic Structure Theory, Journal of Physical Chemistry C. 125 (2021) 15103–15111. https://doi.org/10.1021/acs.jpcc.1c04791.
[1]
T.F. Allard, G. Weick, Quantum theory of plasmon polaritons in chains of metallic nanoparticles: From near- to far-field coupling regime, Physical Review B. 104 (2021) 125434. https://doi.org/10.1103/PhysRevB.104.125434.
[1]
B. Taudul, M. Bowen, M. Alouani, Impact of single and double oxygen vacancies on electronic transport in Fe/MgO/Fe magnetic tunnel junctions, Journal of Applied Physics. 128 (2020) 143902. https://doi.org/10.1063/5.0019718.
[1]
M. Sushruth, M. Grassi, K. Ait-Oukaci, D. Stoeffler, Y. Henry, D. Lacour, M. Hehn, U. Bhaskar, M. Bailleul, T. Devolder, J.-P. Adam, Electrical spectroscopy of forward volume spin waves in perpendicularly magnetized materials, Physical Review Research. 2 (2020) 043203. https://doi.org/10.1103/PhysRevResearch.2.043203.
[1]
K.A. Oukaci, D. Lacour, D. Stoeffler, B. Sarpi, F. Montaigne, R. Belkhou, M. Hehn, Weak Stripe Angle Determination by Quantitative x-ray Magnetic Microscopy, Physical Review Applied. 14 (2020) 024083. https://doi.org/10.1103/PhysRevApplied.14.024083.
[1]
M. Grassi, M. Geilen, D. Louis, M. Mohseni, T. Braecher, M. Hehn, D. Stoeffler, M. Bailleul, P. Pirro, Y. Henry, Slow-Wave-Based Nanomagnonic Diode, Physical Review Applied. 14 (2020) 024047. https://doi.org/10.1103/PhysRevApplied.14.024047.
[1]
E.M. Fortes, I. Garcia-Mata, R.A. Jalabert, D.A. Wisniacki, Signatures of quantum chaos transition in short spin chains, EPL. 130 (2020) 60001. https://doi.org/10.1209/0295-5075/130/60001.
[1]
F. Fernique, G. Weick, Plasmons in two-dimensional lattices of near-field coupled nanoparticles, Physical Review B. 102 (2020) 045420. https://doi.org/10.1103/PhysRevB.102.045420.
[1]
C.A. Downing, G. Weick, Plasmonic modes in cylindrical nanoparticles and dimers, Proceedings of the Royal Society A-Mathematical Physical and Engineering Sciences. 476 (2020) 20200530. https://doi.org/10.1098/rspa.2020.0530.
[1]
A. Dixit, D. Stoeffler, M. Alouani, Effect of site disorder on the electronic, magnetic, and ferroelectric properties of gallium ferrite, Physical Review Materials. 4 (2020) 074406. https://doi.org/10.1103/PhysRevMaterials.4.074406.

Mesoscopic Quantum Physics

Surface-confined Self-Assembly

XAS et XMCD aux seuils L23 de Fe et Mo dans Sr2

Effect of diffusion and alloying on the magnetic and transport properties of Fe/V/Fe trilayers

Spintronique organique

Oxydes for spintronics

Competing Exchange Interactions in Magnetic Multilayers

Propriétés Physiques du Désordre et de la Frustration Géométrique