Andres Saul
Theoretical Solid State Physics. Computational Material Science. Electronic and Magnetic Properties.
Expertise and principal research interests
Previous research topics
- Surface physics : Reconstruction and phase transitions. Surface alloys and alloy surfaces. Surface segregation, kinetics and equilibrium properties. Elastic properties. Surface stress and surface energy.
- Metallic nanowires : Quantum transport.
Current reserach topics
- Electronic, magnetic and vibrational properties of low dimensional systems : Magnetic Hamiltonians : effective exchange interactions, magnetic anisotropies. Magnetic phase diagrams. Magnetic excitations : magnons. Vibrational properties : phonons, Raman and Infra-red. Magnetoelastic interactions.
Methods
- Quantum and classical computer simulation in statistical mechanics.
- Electronic structure calculations in condensed matter.
- Density functional theory and semi-empirical (tight-binding) electronic structure methods.
- All electron linearized augmented planewave method.
- Semi-empirical interatomic potentials.
- Classical molecular dynamics and Monte Carlo methods.
- Computational and numerical methods in general.
Degrees
- Habilitation à Diriger des Recherches from University of Mediterranée (now Aix-Marseille Université). December 2002.
- PhD in Physics from University of Buenos Aires. December 1990.
- M.Sc in Physics (Licenciatura) from University of Buenos Aires. December 1987.
Appointments
- Senior Research Associate (Directeur de Recherche 1, CNRS). October 2017 to present.
- Visiting Research Scientist UMI CNRS-Civil and Environmental Engineering (MIT). September 2013 to August 2015.
- Senior Research Associate (Directeur de Recherche 2, CNRS). October 2004 to September 2017.
- Research Associate (Chargé de Recherche, CNRS). October 1994 to September 2004.
- Research Associate (Chercheur associé, CNRS). April 1994 to September 1994.
- Collaborateur Temporaire Etranger Service de Recherche en Métallurgie Physique, Centre d'Etudes Nucléaires de Saclay. October 1992 to Mars 1994.
- Visiting researcher IBM T. J. Watson Research Center, Yorktown Heights, U.S.A. January to March 1992.
- Research Fellow (Investigador Residente) Computer Research and Advanced Application Group, IBM Argentina. Mars 1991 to September 1992.
- Technical Assistant (ITA) Low Temperatures Laboratory. Physics Departement, Facultad des Ciencias Fisicas y Naturales. Universidad de Buenos Aires. July 1983 to March 1987
- Teaching Assistant Physics Laboratory. Escuela Técnica ORT. March 1981 to June 1983.
- Technical Assistant (ITA) Instrumentation Laboratory. Electronics Department. Facultad de Ingenieria, Universidad de Buenos Aires. March 1980 to December 1980.
Teaching experience
Graduate Level
- Numerical simulations in Material Science Département de Physique, Université de la Méditerranée.
- Numerical Methods in Solids State Physics : electronic properties Département de Physique, Universités d'Aix-Marseille.
- Solid State Physics Département de Physique, Universités d'Aix-Marseille.
- Density Functional Theory Département de Physique, Universités d'Aix-Marseille.
Undegraduate Level
- Electricity and Magnetism Departamento de Fisica, Facultad de Ciencias Exactas y Naturales - Universidad de Buenos Aires.
- Fluids Mechanics Departamento de Fisica, Facultad de Ciencias Exactas y Naturales - Universidad de Buenos Aires.
- Quantum Mechanic Departamento de Fisica, Facultad de Ciencias Exactas y Naturales - Universidad de Buenos Aires.
- Solid State Physics Departamento de Fisica, Facultad de Ciencias Exactas y Naturales - Universidad de Buenos Aires.
High School Level
- Laboratory work Escuela Técnica O.R.T (Buenos Aires, Argentina).
Other
- Monte Carlo Simulations Ecole d'été d'Analyse Numérique organisée par EDF-CEA-INRIA (Le Bréau, France).
More
- Full list of publications and more information can be found in the Curriculum Vitae
2024
Pushing the thickness limit of the giant Rashba effect in ferroelectric semiconductor GeTe
Boris Croes, Alexandre Llopez, Calvin Tagne-Kaegom, Bodry Tegomo Chiogo, Bertrand Kierren, Pierre Müller, Stefano Curiotto, Patrick Le Fèvre, François Bertran, Andrés Saúl, Yannick Fagot-Revurat, Frédéric Leroy, Fabien Cheynis
Nano Letters (2024)10.1021/acs.nanolett.4c03281
Van der Waals epitaxy of Weyl-semimetal Td-WTe2
Alexandre Llopez, Frédéric Leroy, Calvin Tagne-Kaegom, Boris Croes, Adrien Michon, Chiara Mastropasqua, Mohamed Al Khalfioui, Stefano Curiotto, Pierre Müller, Andrés Saúl, Bertrand Kierren, Geoffroy Kremer, Patrick Le Fèvre, François Bertran, Yannick Fagot-Revurat, Fabien Cheynis
ACS Applied Materials & Interfaces 16:20878-20885 (2024)10.1021/acsami.4c00676
Magnetic structure of a multiferroic compound: Cu2OCl2
Julien Lévêque, Elisa Rebolini, Andrés Saúl, Marie-Bernadette Lepetit
Faraday Discussions 254:612-627 (2024)10.1039/D4FD00042K
Why the pyrochlore-like antiferromagnet NaCu3F7 is magnetically non-frustrated
Julien Lévêque, Elisa Rebolini, Marie-Bernadette Lepetit, Andrés Saúl
Journal of Physics: Condensed Matter 36:415803 (2024)10.1088/1361-648X/ad5d39
2023
Coherent description of the magnetic properties of SeCuO3 versus temperature and magnetic field
Xavier Rocquefelte, Mirta Herak, Atsushi Miyake, William Lafargue-Dit-Hauret, Helmuth Berger, Masashi Tokunaga, Andres Saúl
Physical Review B 107:054407 (2023)10.1103/PhysRevB.107.054407
Magnetoelastic interactions in SrCu2(BO3)2 studied by Raman scattering experiments and first principles calculations
K. Thirunavukkuarasu, G. Radtke, Z. Lu, M. Lazzeri, P. Christianen, M. Ballottin, H. Dabkowska, B. Gaulin, D. Smirnov, M. Jaime, A. Saúl
Physical Review B 107:064410 (2023)10.1103/PhysRevB.107.064410
2022
Theoretical study of the magnetic properties of the CoCu2O3 compound
Julien Lévêque, Elisa Rebolini, Marie-Bernadette Lepetit, Andrés Saúl
Physical Review B 106:224402 (2022)10.1103/PhysRevB.106.224402
Ab initio investigation of the magnetic and ferroelectric properties of BaCuF4 under hydrostatic pressure
D. Vincent, Xavier Rocquefelte, A. Saul
Physical Review B 106:064421 (2022)10.1103/PhysRevB.106.064421
2021
Piezomagnetic switching and complex phase equilibria in uranium dioxide
Daniel Antonio, Joel Weiss, Katherine Shanks, Jacob Ruff, Marcelo Jaime, Andrés Saúl, T D Swinburne, Myron Salamon, Keshav Shrestha, Barbara Lavina, Daniel Koury, Sol Gruner, David Andersson, Christopher Stanek, Tomasz Durakiewicz, James Smith, Zahirul Islam, Krzysztof Gofryk
Communications Materials 2 (2021)10.1038/s43246-021-00121-6
Radioactive decay of $\mathrm {{}^{90}Sr}$ in cement: a non-equilibrium first-principles investigation
Jorge Kohanoff, Alfredo Correa, Gleb Gribakin, Conrad Johnston, Andrés Saúl
The European Physical Journal D : Atomic, molecular, optical and plasma physics 75 (2021)10.1140/epjd/s10053-021-00202-8
Potential room-temperature multiferroicity in cupric oxide under high pressure
William Lafargue-Dit-Hauret, Daniel Braithwaite, Andrew D. Huxley, Tsuyoshi Kimura, Andrés Saúl, Xavier Rocquefelte
Physical Review B 103:214432 (2021)10.1103/PhysRevB.103.214432
Theoretical study of the magnetic properties of BaNiF4
Julien Lévêque, Elisa Rebolini, Andrés Saúl, Marie-Bernadette Lepetit
The European Physical Journal B: Condensed Matter and Complex Systems 94:214 (2021)10.1140/epjb/s10051-021-00225-5
Age, duration and mineral markers of magma interactions in the deep crust: an example from the Pyrenees
Daniel Vielzeuf, Jean-Louis Paquette, J. Clemens, G. Stevens, Abdelmouhcine Gannoun, Krzysztof Suchorski, A. Saúl
Contributions to Mineralogy and Petrology 176 (2021)10.1007/s00410-021-01789-2
2020
Magnetoelastic interaction in the two-dimensional magnetic material MnPS3 studied by first principles calculations and Raman experiments
Diana Vaclavkova, Alex Delhomme, Clément Faugeras, Marek Potemski, Aleksander Bogucki, Jan Suffczynski, Piotr Kossacki, Andrew Wildes, Benoît Grémaud, Andrés Saúl
2D Materials 7:035030 (2020)10.1088/2053-1583/ab93e3
2019
Influence of halogen substitution on aggregation-induced near infrared emission of borondifluoride complexes of 2′-hydroxychalcones
Anthony D’aléo, Andrés Saúl, Claudio Attaccalite, Frédéric Fages
Materials Chemistry Frontiers 3:86-92 (2019)10.1039/c8qm00478a
Influence of confinement on free radical chemistry in layered nanostructures
Khashayar Ghandi, Cody Landry, Tait Du, Maxime Lainé, Andrés Saúl, Sophie Le Caër
Scientific Reports 9:17165 (2019)10.1038/s41598-019-52662-z
2018
Unconventional field induced phases in a quantum magnet formed by free radical tetramers
Andrés Saúl, Nicolas Gauthier, Reza Moosavi Askari, Michel Côté, Thierry Maris, Christian Reber, Anthony Lannes, Dominique Luneau, Michael Nicklas, Joseph M Law, Elizabeth Lauren Green, Jochen Wosnitza, Andrea Bianchi, Adrian Feiguin
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 97 (2018)10.1103/physrevb.97.064414
2017
Gene expression profiling of patient‐derived pancreatic cancer xenografts predicts sensitivity to the BET bromodomain inhibitor JQ1: implications for individualized medicine efforts
Benjamin Bian, Martin Bigonnet, Odile Gayet, Céline Loncle, Aurélie Maignan, Marine Gilabert, Vincent Moutardier, Stéphane Garcia, Olivier Turrini, Jean-Robert Delpero, Marc Giovannini, Philippe Grandval, Mohamed Gasmi, Mehdi Ouaissi, Véronique Secq, Flora Poizat, Rémy Nicolle, Yuna Blum, Laetitia Marisa, Marion Rubis, Jean-Luc Raoul, James E Bradner, Jun Qi, Gwen Lomberk, Raul Urrutia, Andres A Saúl, Nelson Dusetti, Juan L. Iovanna
EMBO Molecular Medicine 9:482-497 (2017)10.15252/emmm.201606975
Piezomagnetism and magnetoelastic memory in uranium dioxide
M. Jaime, A. Saul, M. Salamon, V. Zapf, N. Harrison, T. Durakiewicz, J. Lashley, Daniel Andersson, C. Stanek, J. Smith, K. Gofryk
Nature Communications 8 (2017)10.1038/s41467-017-00096-4
Production of H2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study
Sophie A Le Caër, Lucile Dezerald, Khaoula A Boukari, Maxime A Lainé, Sébastien A Taupin, Ryan M. Kavanagh, Conrad S.N. Johnston, Eddy A Foy, Thibault Charpentier, Konrad J. Krakowiak, Roland J.-M Pellenq, Franz J. Ulm, Gareth A. Tribello, Jorge A Kohanoff, Andres A Saúl
Cement and Concrete Research 100:110-118 (2017)10.1016/j.cemconres.2017.05.022
Magnetic dimerization in the frustrated spin ladder Li 2 Cu 2 O ( SO 4 ) 2
O. Vaccarelli, G. Rousse, A. Saul, G. Radtke
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 96:180406-1-180406-5 (2017)10.1103/PhysRevB.96.180406
2016
Quasi-two-dimensional Bose-Einstein condensation of spin triplets in the dimerized quantum magnet Ba 2 CuSi 2 O 6 Cl 2
Makiko Okada, Hidekazu Tanaka, Nobuyuki Kurita, Kohei Johmoto, Hidehiro Uekusa, Atsushi Miyake, Masashi Tokunaga, Satoshi Nishimoto, Masaaki Nakamura, Marcelo Jaime, Guillaume Radtke, Andres A Saúl
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 94 (2016)10.1103/physrevb.94.094421
2015
Atomistic Model for Ge Condensation under SiGe Oxidation
P. Ganster, A. Saul, G. Tréglia
Antiferromagnetic phase of the gapless semiconductor V3Al
M. E. Jamer, Badih Assaf, G. E. Sterbinsky, D. Arena, L. H. Lewis, A. A. Saúl, G. Radtke, D. Heiman
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 91:094409 (2015)10.1103/PhysRevB.91.094409
Magnetic nanopantograph in the SrCu2(BO3)2 Shastry–Sutherland lattice
Guillaume Radtke, Andrés Saúl, Hanna A. Dabkowska, Myron B. Salamon, Marcelo Jaime
Proceedings of the National Academy of Sciences of the United States of America 112:1971-1976 (2015)10.1073/pnas.1421414112
2014
Multiphase equation of state for carbon addressing high pressures and temperatures
L.X. Benedict, K.P. Driver, S. Hamel, B. Militzer, T.T. Qi, A.A. Correa, A. Saul, E. Schwegler
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 89:224109 (2014)10.1103/PhysRevB.89.224109
Molecular dynamics simulations of the formation of 1D spin-valves from stretched Au-Co and Pt-Co nanowires
R. Cortes-Huerto, T. Sondon, A. Saul
Journal of Physics: Condensed Matter 26:474206 (2014)10.1088/0953-8984/26/47/474206
Simple views on surface stress and surface energy concepts
Pierre Müller, A. Saul, F. Leroy
Advances in Natural Sciences : Nanoscience and Nanotechnology 5:013002 (2014)10.1088/2043-6262/5/1/013002
Density functional approach for the magnetism of !-TeVO4
A. Saul, G. Radtke
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 89:104414 (2014)10.1103/PhysRevB.89.104414
2013
Magnetism of Ba4Ru3O10 revealed by density functional calculations: Structural trimers behaving as coupled magnetic dimers
G. Radtke, A. Saul, Y. Klein, G. Rousse
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 87:054436 (2013)10.1103/PhysRevB.87.054436