- The use of the parameter pressure from 1 MPa in autoclaves up to 50 GPa in diamond anvil cells for the synthesis and in situ investigations of functional materials. The control of different pressure-temperature conditions to crystallize materials at different scales and to develop chemical treatment methods for sustainable development
- The use of synthesis techniques which allow metastable materials to be produced under non-equilibrium conditions. The development of experimental and theoretical techniques for the study of the thermal properties of multidimensional materials
Organizational chart
Research activities / fields
Theory-modeling-experiments relations
The object of this work axis is the development of theoretical models and computing programs with the aims to reach a better understanding of the chemical and physical properties of the materials of interest for our team and on the other hand to predict new structures optimized for electronic in full synergy with the experimentalists who synthesize them. Within this framework/background/context, we are using from the so-called ab initio method to lighter but parametrized methods such as tight binding or molecular dynamics methods.
Our savoir faire/know-how is broad and extends from vibrational (IR, Raman, INS) and thermoelectric response functions to the non-linear response functions (Pockels, SHG, Kerr effect) including the electro-mechanical and magneto-electrical mechanisms.With the help of DFT calculations, we are studying the stability of materials under various conditions: atmosphere, pressure, temperature. Thanks to these studies, we are able to select new materials with some of which could be metastable. In the latter case, several techniques ofsynthesis are used permitting to work under out-of-equilibrium conditions, such as mechanical alloying and magnetron sputtering or under high-pressure/high-temperature conditions.
Among our other interests are the aspects related to the stability at the interfaces and to diffusion mechanisms by studying the diffusion barriers under thin film form. These studies are especially important for the applications at high temperatures because of the phenomena of oxidation and interdiffusion of the materials.
The Bridgman method is used for intermetallic/oxide-type single crystals synthesis over a wide range of temperature (up tp 1600°C and potentially 2000°C). Suitable synthesis conditions can be adapted by controlling the atmosphere (Ar, O2) for centimetric-size single crystal synthesis.
Synthesis of new high performance materials is the main goal of this activity. As an example the study of the effect of chemical substitution in multiple fonction materials can permit to optimize the intrinsic physical properties (piezoelectricity, non linear optics, thermoelectricity, photoelectricity…) or create new ones (multiferroïcity and new coupling, figure b.
- Based on our know-how in sol-gel synthesis followed by hydrothermal treatment of SiO2 and AlPO4 materials and in high pressure techniques, the goal is to prepare new zeolite/polymer nanocomposites. The monomers are inserted and then polymerized under high pressure and, if needed, high temperature. This enables the sub-nanometer scale to be reached with strongly confined, isolated chains of organic of inorganic polymers with novel electronic, mechanical and optical properties. A similar approach will be used to prepare zeolite/nanowire composites by inserting metal atoms in the pores at high pressure and high temperature.
- Our field of investigation extends to the study of intermetallic and oxide materials under various forms: nanometric powder, nanowires, thin films. One of our main aims is to study the effect of dimensionality on the electronic, thermal and photonic properties. Thanks to the low-dimensionality, the thermal conductivity of the materials can be reduced without significant degradation of the electronic properties. The critical size below which there is electronic confinement would permit to increase the thermoelectric power, improving the potential of the studied material for thermoelectric applications. For photovoltaic applications, the reduced dimensionality will permit to get higher amounts of light energy than from a conventional photovoltaic cell. The obtained nano-object will then introduced, after functionalization, in an organic matrix so that one can have benefits from both the remarkable properties of nano-object and the easier shaping of the polymer.
- With regard to the increasing problems concerning sustainable development and environmental protection, it is necessary to develop processes of destruction of the industrial waste and if possible to value them. In the case of waste containing asbestos, the use of hydrothermal conditions to destroy cement waste and their transformation towards other materials reduces energy consumption. Thus, the purpose is to define the greenest possible process of waste elimination and to valorize the products of the treatment either by isolating each of the chemical elements or by synthesizing another material for other applications.
- Clathrates and zeolites have cage/channel type structures which have large potential for applications such as sequestration of polluting elements. The geometry and dimension of cages and channels will determine, which type of guest atoms can be intercalated. One of the aims of these studies will be to understand the diffusion mechanisms intra- and inter-cage/channel in order to optimize the sequestration of the studied chemical elements.
- AIME, AM2N, CMOS, IMNO, MACS
- IEM, L2C, IES, Géosciences Montpellier
- CRISMAT, CRISTAL INNOV, FEMTO, ICMCB, ICN, ILM, SIMaP, ICMMO, ICMPE, LNCMI, ILL
- CNR (Italie), INCEMC (Roumanie), Univ. Meknès, Univ. Turin, DQMP (Genève), EPFL (Lausanne)
- C-THERM
- ANR COFeIn 2013-2016
- ANR MASCOTH 2014-2017
- Thèse LABEX CheMISyst + accompagnement 2013-2016
- PICS CNR/CNRS 2013-2016
- Sous-traitant projet ANR ASTRID ECLATEMPS 2013-2016
- Thèse Nîmes Métropole (collaboration SOMEZ – ICN) 2015-2018
- Projet industriel (St Gobain – CREE): purification du SiC par traitement hydrothermal
- Order and disorder in zeolites across different length scales du LABEX CheMISyst 2016-2019
- PRIN (PROGETTI DI RICERCA DI RILEVANTE INTERESSE NAZIONALE) ZAPPING (High-pressure nano-confinement in Zeolites: the mineral science know-how APPlied to engineerING of innovative materials for technological and environmental applications) 2017-2019
- IONANO « Inorganique Organique NANO-composite pour applications thermoélectriques » co-financement Labex CheMISyst - Université de Montpellier
- 6 ANR, 1 INSU et 2 projets H2020 FET en cours d’expertise
- 39. J.M. Thibaud, J. Rouquette, P. Hermet, K. Dziubek, F.A. Gorelli, M. Santoro, G. Garbarino, F.G. Alabarse, O. Cambon, F. Di Renzo, A. van der Lee, J. Haines, High-Pressure Phase Transition, Pore Collapse, and Amorphization in the Siliceous 1D Zeolite, TON, J. Phys. Chem. C, 121 (2017) 4283-4292.
- 38. Moll, R. Viennois, P. Hermet, A. Haidoux, J.L. Bantignies, M. Beaudhuin, Stability and properties of the friendly environmental Zintl phases: Ca3Si4 and Ca14Si19, Acta Mater., 125 (2017) 490-497.
- 37. A. Moll, M. Beaudhuin, V. Legrand, R. Debord, S. Pailhes, R. Viennois, N. Frety, Mechanical alloying as a new synthesis route for metastable silicon clathrates, Materials Letters, 187 (2017) 1-3.
- 36. P. Hermet, P. Jund, Lattice thermal conductivity of NiTiSn half-Heusler thermoelectric materials from first-principles calculations, Journal of Alloys and Compounds, 688 (2016) 248-252.
- 35. P. Hermet, J. Haines, J.P. Aubry, O. Cambon, Origin and Mechanism of Piezoelectricity in alpha-Quartz-type (MXO4)-X-III-O-V Compounds (M = B, Al, or Ga; X = P or As), J. Phys. Chem. C, 120 (2016) 26645-26651.
- 34. A. ElBiyaali, M. Bentaleb, H. Chadli, M. Boutahir, A.H. Rahmani, B. Fakrach, P. Hermet, A. Rahmani, Size effects on the infrared responses of boron carbide nanotubes, Physica E-Low-Dimensional Systems & Nanostructures, 84 (2016) 548-554.
- 33. O. Cambon, J. Haines, Hydrothermal Crystal Growth of Piezoelectric alpha-Quartz Phase of AO(2) (A = Ge, Si) and MXO4 (X = Al, Ga, Fe and X = P, As): A Historical Overview, Crystals, 7 (2017).
- 32. L. Boulat, N. Frety, P. Sans, R. Viennois, Ab initio study of the nature and stability of the defects and multi-vacancies in TaN. Comparison with TiN, J. Phys.-Condes. Matter, 29 (2017).
- 31. A. Belhboub, P. Hermet, L. Alvarez, R. Le Parc, S. Rols, A.C.L. Selvati, B. Jousselme, Y. Sato, K. Suenaga, A. Rahmani, J.L. Bantignies, Enhancing the Infrared Response of Carbon Nanotubes From Oligo-Quaterthiophene Interactions, J. Phys. Chem. C, 120 (2016) 28802-28807.
- 30. M. Santoro, D. Scelta, K. Dziubek, M. Ceppatelli, F.A. Gorelli, R. Bini, G. Garbarino, J.M. Thibaud, F. Di Renzo, O. Cambon, P. Hermet, J. Rouquette, A. van der Lee, J. Haines, Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure, Chemistry of Materials, 28 (2016) 4065-4071
- 29. J. Richard, S.L. Cid, J. Rouquette, A. van der Lee, S. Bernard, J. Haines, Pressure-Induced Insertion of Ammonia Borane in the Siliceous Zeolite, Silicalite-1F, J. Phys. Chem. C, 120 (2016) 9334-9340.
- 28. A.H. Rahmani, M. Boutahir, A. El Biyaali, B. Fakrach, H. Chadli, K. Sbai, P. Hermet, J.L. Bantignies, A. Rahmani, Theoretical infrared phonon modes in double-walled carbon nanotubes, Rsc Advances, 6 (2016) 41025-41031.
- 27. B. Legrand, C. Andre, L. Moulat, C. Didierjean, P. Hermet, J.L. Bantignies, J. Martinez, M. Amblard, M. Calmes, 12/14/14-Helix Formation in 2:1 alpha/beta-Hybrid Peptides Containing Bicyclo 2.2.2 octane Ring Constraints, Chemistry-a European Journal, 22 (2016) 11986-11990.
- 26. M. Khalil, M. Beaudhuin, B. Villeroy, D. Ravot, R. Viennois, A modeling approach for new CrSi2 based alloys: Application to metastable Cr1-xZrxSi2 as a potential thermoelectric material, Journal of Alloys and Compounds, 662 (2016) 150-156.
- 25. P. Hermet, Piezoelectric Response in alpha-Quartz-Type GeO2, J. Phys. Chem. C, 120 (2016) 126-132.
- 24. P. Hermet, Trigonal BiPO4: A potential piezoelectric for low-temperatures, Computational Materials Science, 118 (2016) 1-3.
- 23. D. Clavier, M. Prakasam, A. Largeteau, J.J. Boy, B. Hehlen, M. Cambon, P. Hermet, J. Haines, O. Cambon, Piezoelectric and non-linear optical properties of alpha-quartz type Si1-xGexO2 single crystals, Crystengcomm, 18 (2016) 2500-2508.
- 22. T.F.T. Cerqueira, S. Pailhes, R. Debord, V.M. Giordano, R. Viennois, J.M. Shi, S. Botti, M.A.L. Marques, Prediction and Synthesis of a Non-Zintl Silicon Clathrate, Chemistry of Materials, 28 (2016) 3711-3717.
- 21. Mario Santoro, Kamil Dziubek, Demetrio Scelta, Matteo Ceppatelli, Federico A. Gorelli, Roberto Bini, Jean-Marc Thibaud, Francesco Di Renzo, Olivier Cambon, Jérôme Rouquette, Patrick Hermet, Arie Van der Lee and Julien Haines
High Pressure Synthesis of All-Transoid Polycarbonyl [—(C═O)—]n in a Zeolite,
Chem. Mater. 2015, 27, 6486-6489 - 20. P. Hermet, M. M. Koza, C. Ritter, C. Reibel and R. Viennois
Origin of the highly anisotropic thermal expansion of the semiconducting ZnSb and relations with its thermoelectric applications,
RSC Adv. 2015, 5, 87118-87131 - 19. Françoise Damay, Maria Poienar, Maryvonne Hervieu, Anne Guesdon, Julie Bourgeois, Thomas Hansen, Julien Haines, Eric Elkaim, Patrick Hermet, Leszek Konczewicz, Tahar Hammouda, Jerome Rouquette and Christine Martin
High-pressure polymorph of LuFe2O4 with room-temperature antiferromagnetic order,
Phys. Rev. B 2015, 91, 214111 - 18. M. Poienar, A. Maignan, P. Sfirloagaa, S. Malo, P. Vlazana, A. Guesdon, F. Lainé, J. Rouquette and C. Martin
Polar space group and complex magnetism in Ni11□(HPO3)8(OH)6, towards a new multiferroic material?,
Solid State Sci. 2015, 39, 92-96 - 17. Manuel Hinterstein, Marcus Hoelzel, Jerome Rouquette, Julien Haines, Julia Glaum, Hans Kungle and Mark Hoffman
Interplay of strain mechanisms in morphotropic piezoceramics,
Acta Mater. 2015, 94, 319-327 - 16. A. El Biyaali, M. Bentaleb, A. H. Rahmani, B. Fakrach, H. Chadli, P. Hermet and A. Rahmani
Tube-Length Dependence on Theoretical Raman Spectra of Single-Walled BC3 Nanotubes and Bundle Size Effect,
J. Phys. Chem. C 2015, 119, 22653-22662 - 15. Rossella Arletti, L. Leardini, Giovanna Vezzalini, Simona Quartieri, Lara Gigli, Mario Santoro, Julien Haines, Jérôme Rouquette and Leszek Konczewicz
Pressure-induced penetration of guest molecules in high-silica zeolites, the case of mordenite,
Phys. Chem. Chem. Phys. 2015, 17, 24262-24274 - 14. Frederico G. Alabarse, Jean-Blaise Brubach, Pascale Roy, Abel Haidoux, Claire Levelut, Jean-Louis Bantignies, Olivier Cambon and Julien Haines
AlPO4-54-AlPO4-8 Structural Phase Transition and Amorphization under High Pressure,
J. Phys. Chem. C 2015, 119, 7771-7779 - 13. Marco Longhin, Romain Viennois, Didier Ravot, Jean-Jacques Robin, Benjamin Villeroy, Jean-Baptiste Vaney, Christophe Candolfi, Bertrand Lenoir and Philippe Papet
Nanostructured CoSi obtained by Spark Plasma Sintering,
J. Electron. Mater. 2015, 44, 1963-1966 - 12. Romain Viennois, Corine Reibel, Didier Ravot, Régis Debord and Stephane Pailhes
Observation of various magnetic-field-induced states in B20 cubic MnGe,
Europhys. Lett. 2015, 111, 17008 - 11. D. Lançon, N. Tsyrulin, M. Böhm, R. Viennois, S. Zabihzadeh, A. Kusmartseva, E. Giannini and H.M. Rønnow
Pressure induced evolution of superconductivity and magnetic hourglass dispersion in Fe1.02Te0.7Se0.3,
New J. Phys. 2015, 17, 043020 - 10. Adrien Lignie, Patrick Hermet, Guillaume Fraysse and Pascale Armand
Raman study of α-quartz-type Ge1-xSixO2 (0 < x ≤ 0.067) single crystals for piezoelectric applications,
RSC Adv. 2015, 5, 55795-55800 - 9. B. Fakrach, A.H. Rahmani, H. Chadli, K. Sbai, P. Hermet and A. Rahmani
Raman-Active Modes in Finite and Infinite Double-Walled Boron Nitride Nanotubes,
J. Phys. Chem. C 2015, 119, 13306-13313 - 8. Patrick Hermet, Souleiman Manhal, Damien Clavier, Bernard Hehlen, Claire Levelut, Pierre Sans, Julien Haines and Olivier Cambon
GaAsO4, A Bifunctional Material for Piezoelectricity and Second Harmonic Generation,
J. Phys. Chem. C 2015, 119, 8459-8464 - 7. F. Fergani, H. Chadli, A. Belhboub, P. Hermet and A. Rahmani
Theoretical Study of the Raman Spectra of C70 Fullerene Carbon Peapods,
J. Phys. Chem. C 2015, 119, 5679-5686 - 6. Laurent Alvarez, Fallou Fall, Anouar Belhboub, Rozenn Le Parc, Yann Almadori, Raul Arenal, Raymond Aznar, Philippe Dieudonné, Patrick Hermet, Abdelali Rahmani, Bruno Jousselme, Stéphane Campidelli, Julien Cambedouzou, Takeshi Saito and Jean-Louis Bantignies
One-Dimensional Molecular Crystal of Phthalocyanine Confined into Single-Walled Carbon Nanotubes,
J. Phys. Chem. C 2015, 119, 5203-5210 - 5. E. Alleno, D. Bérardan, C. Byl, C. Candolfi, R. Daou, R. Decourt, E. Guilmeau, S. Hébert, J. Hejtmánek, B. Lenoir, P. Masschelein, V. Ohorodnichuk, M. Pollet, S. Populoh, D. Ravot, O. Rouleau and M. Soulier
A round Robin test of the uncertainty on the measurements of the thermoelectric dimensionless figure of merite of Co0.87Ni0.03Sb3,
Rev. Sci. Instrum. 2015, 86, 011301 - 4. Frederico G. Alabarse, Jérôme Rouquette, Benoit Coasne, Abel Haidoux, Carsten Paulmann, Olivier Cambon and Julien Haines
Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54.xH2O at High Pressure,
J. Am. Chem. Soc. 2015, 137, 584-587 - 3. Patrick Hermet, M. Khalil, Romain Viennois, Mickael Beaudhuin, David Bourgogne and Didier Ravot
Revisited phonon assignment and electro-mechanical properties of chromium disilicide,
RSC Adv. 2015, 5, 19106-19116 - 2. Esmilaire Roseline, Mickael Beaudhuin, Patrick Hermet, Nicole Fréty, Didier Ravot and Romain Viennois
Synthesis and characterization of the semiconducting metastable phase Al6Ge5,
Mater. Lett. 2015, 138, 222-224 - 1. Jérôme Long, Jérôme Rouquette, Jean-Marc Thibaud, Rute A S. Ferreira, Luis D. Carlos, Bruno Donnadieu, Veacheslav Vieru, L F. Chibotaru, Leszek Konczewicz, Julien Haines, Yannick Guari and Joulia Larionova
A High-Temperature Molecular Ferroelectric Zn/Dy Complex Exhibiting Single-Ion Magnet Behavior and Lanthanide Luminescence.,
Angew. Chem. Int. Ed. 2015, 54, 2236-2240