Publications and communications of Jean-Yves Raty

Articles in scientific journals with peer reviewing

Cravero, R., Tlili, A., Paterson, J., Tomelleri, M., Marcello, P., Debord, R., Pailhès, S., Bourgeois, O., Hippert, F., Le Qui, D., Raty, J.-Y., Noe, P., & Giordano, V. M. (June 2024). Glass-Like Phonon Dynamics and Thermal Transport in a GeTe Nano-Composite at Low Temperature. Small, 20 (26), 2310209. doi:10.1002/smll.202310209

Raty, J.-Y., Bichara, C., Schön, C.-F., Gatti, C., & Wuttig, M. (07 May 2024). Reply to Lee and Elliott: Changes of bonding upon crystallization in phase change materials. Proceedings of the National Academy of Sciences of the United States of America, 121 (19), 2405294121. doi:10.1073/pnas.2405294121

Raty, J.-Y., Bichara, C., Schön, C.-F., Gatti, C., & Wuttig, M. (09 January 2024). Tailoring chemical bonds to design unconventional glasses. Proceedings of the National Academy of Sciences of the United States of America, 121 (2), 2316498121. doi:10.1073/pnas.2316498121

Sever, V., Bernier, N., Térébénec, D., Sabbione, C., Paterson, J., Castioni, F., Quéméré, P., Jannaud, A., Rouvière, J.-L., Roussel, H., Raty, J.-Y., Hippert, F., & Noé, P. (2024). Quantitative Scanning Transmission Electron Microscopy–High-Angle-Annular Dark-Field Study of the Structure of Pseudo-2D Sb2Te3 Films Grown by (Quasi) Van der Waals Epitaxy. Physica Status Solidi. Rapid Research Letters. doi:10.1002/pssr.202300402

Wuttig, M., Schön, C.-F., Kim, D., Golub, P., Gatti, C., Raty, J.-Y., Kooi, B. J., Pendás, Á. M., Arora, R., & Waghmare, U. (2024). Metavalent or Hypervalent Bonding: Is There a Chance for Reconciliation? Advanced Science, 2308578. doi:10.1002/advs.202308578

Desmarchelier, P., Giordano, V. M., Raty, J.-Y., & Termentzidis, K. (14 November 2023). a-C/GeTe superlattices: Effect of interfacial impedance adaptation modeling on the thermal properties. Journal of Applied Physics, 134 (18), 185105. doi:10.1063/5.0167166

Wuttig, M., Schön, C.-F., Lötfering, J., Golub, P., Gatti, C., & Raty, J.-Y. (18 May 2023). Revisiting the Nature of Chemical Bonding in Chalcogenides to Explain and Design their Properties. Advanced Materials, 35 (20), 2208485. doi:10.1002/adma.202208485

Dory, J.-B., Ibnoussina, M., Raty, J.-Y., Jager, J.-B., Verdy, A., Coillet, A., Colman, P., Albanese, A., Tomelleri, M., Cluzel, B., & Noé, P. (2023). Origin of the Unusual High Optical Nonlinearities Observed in Glassy Chalcogenides. Advanced Optical Materials, 2301154. doi:10.1002/adom.202301154

Ratz, T., Nguyen, N. D., Brammertz, G., Vermang, B., & Raty, J.-Y. (2022). Relevance of Ge incorporation to control the physical behaviour of point defects in kesterite. Journal of Materials Chemistry A. doi:10.1039/D1TA09620F

Wuttig, M., Schön, C.-F., Schumacher, M., Robertson, J., Golub, P., Bousquet, E., Gatti, C., & Raty, J.-Y. (2022). Halide Perovskites: Advanced Photovoltaic Materials Empowered by a Unique Bonding Mechanism. Advanced Functional Materials, 32 (2), 2110166. doi:10.1002/adfm.202110166

Raty, J.-Y., Gatti, C., Schön, C.-F., & Wuttig, M. (2021). How to Identify Lone Pairs, Van der Waals Gaps, and Metavalent Bonding Using Charge and Pair Density Methods: From Elemental Chalcogens to Lead Chalcogenides and Phase-Change Materials. Physica Status Solidi. Rapid Research Letters, 2000534. doi:10.1002/pssr.202000534

Guarneri, L., Jakobs, S., von Hoegen, A., Maier, S., Xu, M., Zhu, M., Wahl, S., Teichrib, C., Zhou, Y., Cojocaru-Mirédin, O., Raghuwanshi, M., Schön, C.-F., Drögeler, M., Stampfer, C., Lobo, R. P. S. M., Piarristeguy, A., Pradel, A., Raty, J.-Y., & Wuttig, M. (06 August 2021). Metavalent Bonding in Crystalline Solids: How Does It Collapse? Advanced Materials, 33 (n/a), 2102356. doi:10.1002/adma.202102356

Martinez, P., Blanchet, V., Descamps, D., Dory, J.-B., Fourment, C., Papagiannouli, I., Petit, S., Raty, J.-Y., Noé, P., & Gaudin, J. (August 2021). Sub-Picosecond Non-Equilibrium States in the Amorphous Phase of GeTe Phase-Change Material Thin Films. Advanced Materials, 13 (n/a), 2102721. doi:10.1002/adma.202102721

Ratz, T., Raty, J.-Y., Brammertz, G., Vermang, B., & Nguyen, N. D. (30 June 2021). Opto-electronic properties and solar cell efficiency modelling of Cu2ZnXS4 (X=Sn,Ge,Si) kesterites. Journal of Physics : Energy, 3 (3), 035005. doi:10.1088/2515-7655/abefbe

dacapito, F., KOWALCZYK, P., Raty, J.-Y., SABBIONE, C., HIPPERT, F., & NOE, P. (2020). Local structure of [(GeTe)<sub>2</sub>/(Sb<sub>2</sub>Te<sub>3</sub>)<sub>m</sub>]<sub>n</sub> super-lattices by X-ray Absorption Spectroscopy. Journal of Physics: D Applied Physics. doi:10.1088/1361-6463/ab98c1

Maier, S., Steinberg, S., Cheng, Y., Schön, C.-F., Schumacher, M., Mazzarello, R., Golub, P., Nelson, R., Cojocaru-Mirédin, O., Raty, J.-Y., & Wuttig, M. (2020). Discovering Electron-Transfer-Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X = Te, Se, S, O). Advanced Materials, 32 (49), 2005533. doi:10.1002/adma.202005533

Noé, P., Verdy, A., d'Acapito, F., Dory, J.-B., Bernard, M., Navarro, G., Jager, J.-B., Gaudin, J., & Raty, J.-Y. (2020). Toward ultimate nonvolatile resistive memories: The mechanism behind ovonic threshold switching revealed. Science Advances, 6 (9 eaay2830). doi:10.1126/sciadv.aay2830

Raty, J.-Y., & Noé, P. (January 2020). Ovonic Threshold Switching in Se-Rich GexSe1−x Glasses from an Atomistic Point of View: The Crucial Role of the Metavalent Bonding Mechanism. Physica Status Solidi. Rapid Research Letters, 14 (5), 1900581. doi:10.1002/pssr.201900581

Raty, J.-Y., & Wuttig, M. (2020). The interplay between Peierls distortions and metavalent bonding in IV-VI compounds: Comparing GeTe with related monochalcogenides. Journal of Physics: D Applied Physics, 53 (23), 234002. doi:10.1088/1361-6463/ab7e66

Cheng, Y., Cojocaru-Mirédin, O., Keutgen, J., Yu, Y., Küpers, M., Schumacher, M., Golub, P., Raty, J.-Y., Dronskowski, R., & Wuttig, M. (2019). Understanding the Structure and Properties of Sesqui-Chalcogenides (i.e., V2VI3 or Pn2Ch3 (Pn = Pnictogen, Ch = Chalcogen) Compounds) from a Bonding Perspective. Advanced Materials, 1904316. doi:10.1002/adma.201904316

Raty, J.-Y. (2019). Aging in Phase Change Materials: Getting Insight from Simulation. Physica Status Solidi. Rapid Research Letters, 13 (4), 1800590. doi:10.1002/pssr.201800590

Raty, J.-Y., Schumacher, M., Golub, P., Deringer, V. L., Gatti, C., & Wuttig, M. (2019). A Quantum-Mechanical Map for Bonding and Properties in Solids. Advanced Materials, 31 (3), 1806280. doi:10.1002/adma.201806280

Yildirim, C., Raty, J.-Y., & Micoulaut, M. (June 2018). Decoding entangled transitions: Polyamorphism and stressed rigidity. Journal of Chemical Physics, 148 (24), 244505. doi:10.1063/1.5034500

Ibarra Hernández, W., & Raty, J.-Y. (2018). Ab initio density functional theory study of the electronic, dynamic, and thermoelectric properties of the crystalline pseudobinary chalcogenide (GeTe)x/(Sb2Te3) (x=1, 2, 3). Physical Review. B, 97 (24). doi:10.1103/PhysRevB.97.245205

Wuttig, M., Deringer, V. L., Gonze, X., Bichara, C., & Raty, J.-Y. (2018). Incipient Metals: Functional Materials with a Unique Bonding Mechanism. Advanced Materials, 30 (51), 1803777. doi:10.1002/adma.201803777

Yildirim, C., Micoulaut, M., Boolchand, P., Kantor, I., Mathon, O., Gaspard, J.-P., Irifune, T., & Raty, J.-Y. (07 June 2016). Universal amorphous-amorphous transition in GexSe100−x glasses under pressure. Scientific Reports, 6. doi:10.1038/srep27317

Yildirim, C., Raty, J.-Y., & Micoulaut, M. (30 March 2016). Revealing the role of network rigidity on the fragility evolution of glass-forming liquids. Nature Communications, 7 (2016), 11086. doi:10.1038/ncomms11086

Raty, J.-Y., Zhang, W., Luckas, J., Chen, C., Mazzarello, R., Bichara, C., & Wuttig, M. (24 June 2015). Aging mechanisms in amorphous phase-change materials. Nature Communications, 6 (7467), 1-8. doi:10.1038/ncomms8467

Ibarra Hernández, W., Verstraete, M., & Raty, J.-Y. (2014). Effect of hydrostatic pressure on the thermoelectric properties of Bi2 Te3. Physical Review. B, Condensed Matter and Materials Physics, 90 (24), 245204. doi:10.1103/PhysRevB.90.245204

Raty, J.-Y., Noé, P., Ghezzi, G., Maîtrejean, S., Bichara, C., & Hippert, F. (2013). Vibrational properties and stabilization mechanism of the amorphous phase of doped GeTe. Physical Review. B, Condensed Matter and Materials Physics, 88 (1). doi:10.1103/PhysRevB.88.014203

Zhang, W., Thiess, A., Zalden, P., Zeller, R., Dederichs, P. H., Raty, J.-Y., Wuttig, M., Blugel, S., & Mazzarello, R. (November 2012). Role of vacancies in metal-insulator transitions of crystalline phase-change materials. Nature Materials, 11 (11), 952-956. doi:10.1038/nmat3456

Raty, J.-Y., Bichara, C., Mazzarello, R., Rausch, P., Zalden, P., & Wuttig, M. (2012). Comment on "new structural picture of the Ge 2Sb 2Te 5 phase-change alloy". Physical Review Letters, 108 (23). doi:10.1103/PhysRevLett.108.239601

Tamblyn, I., Raty, J.-Y., & Bonev, S. A. (2008). Tetrahedral clustering in molten lithium under pressure. Physical Review Letters, 101 (7), 075703 (4. doi:10.1103/PhysRevLett.101.075703

Raty, J.-Y., Schwegler, E., & Bonev, S. A. (2007). Electronic and structural transitions in dense liquid sodium [letter to the editor]. Nature, 449 (7161), 448-451451. doi:10.1038/nature06123

Gaspard, J.-P., & Raty, J.-Y. (September 2003). Structure of liquid semiconductors. Journal de Physique IV, 111, 125-145.

Scientific conferences in universities or research centers

Raty, J.-Y. (07 March 2023). Metavalent Bonding : Characterisation and Implications for Applications in Phase Change Materials, Thermoelectric and Photovoltaic compounds [Paper presentation]. Séminaire, Livermore, United States - California.

Raty, J.-Y. (20 March 2019). Bonding and Properties of Phase Change Materials through Ab Initio Simulations [Paper presentation]. Séminaire scientifique, Bordeaux, France.

Raty, J.-Y., Malcioglu, O. B., & Bichara, C. (December 2012). Structure et dynamique de Te et GeTe liquides et amorphes : simulation par dynamique moléculaire ab initio [Paper presentation]. SIMADES V, Marseille, France.

Scientific congresses and symposiums

Published communications

Micoulaut, M., Otjacques, C., Raty, J.-Y., & Bichara, C. (2011). Maxwell rigidity and topological constraints in amorphous phase-change networks. AIP Conference Proceedings, 1393, 38-41. doi:10.1063/1.3653603

Oral communications or posters

Raty, J.-Y. (18 June 2024). Bonding in Chalcogenides: Characterization and Implications for Applications in Phase Change Materials, Thermoelectric and Photovoltaic Compounds (invited) [Paper presentation]. Mini-symposium on Advances in Computational Design of Materials.

Raty, J.-Y. (31 May 2024). Liaison chimique 'incomplète' dans les chalcogénures : implications pour les matériaux à changement de phase, thermoélectriques et photovoltaiques. (invited) [Paper presentation]. 3èmes Journées Scientifiques du GDR CHALCO.

Raty, J.-Y. (02 September 2022). Simulating Phase Change Materials : how crystal bonding features lead to the formation of a non-Zachariasen glass (Invited) [Paper presentation]. DFT 2022 Conference, Bruxelles, Belgium.

Ratz, T., Nguyen, N. D., Brammertz, G., Vermang, B., & Raty, J.-Y. (10 February 2022). Physics of Ge-related point defects in Sn-based, Ge-doped and Ge-alloyed kesterites [Poster presentation]. 12th European Kesterite Workshop, Copenhagen, Denmark.

Raty, J.-Y. (18 October 2021). Metavalent Bonding : Characterization and Implications for Applications in Phase Change Materials, thermoelectric and Photovoltaic Compounds (Invited) [Paper presentation]. APMAS 2021 International Advances in Applied Physics and Materials Science, Oludeniz, Turkey.

Ratz, T., Raty, J.-Y., Brammertz, G., Vermang, B., & Nguyen, N. D. (26 November 2020). Study of the opto-electronic properties of Cu2ZnXS4 (X=Sn,Ge,Si) kesterites as input data for solar cell efficiency modelling [Poster presentation]. 11th Kesterite Workshop, Oldenburg, Germany.

Martinez, P., Gaudin, J., Papagiannouli, A., Blanchet, V., Descamps, D., Fourment, Petit, S., Raty, J.-Y., Bernier, N., Dory, J.-B., & Noé, P. (10 September 2019). Experimental and ab-intio investigations of sub-ps optical excitation effects in amorphous GeTe films [Poster presentation]. EPCOS 2019, Grenoble, France.

Chen, Y., Cojocaru-Miredin, O., Keutgen, J., Yu, Y., Kupers, M., Schumacher, M., Golub, P., Raty, J.-Y., Dronskowski, & Wuttig, M. (09 September 2019). Understanding the structure and properties of Pn2Ch3 (V2VI3) compounds from a bonding perspective [Poster presentation]. EPCOS 2019, Grenoble, France.

d'Acapito, F., Raty, J.-Y., Hippert, F., & Noé, P. (09 September 2019). X-ray absorption spectroscopy study of the complex structure of phase change materials [Paper presentation]. EPCOS 2019, Grenoble, France.

Dory, J.-B., Raty, J.-Y., Jager, J.-B., Verdy, A., D'Acapito, F., Tessaire, M., Bernard, M., Coillet, A., Cluzel, B., & Noé, P. (09 September 2019). Design rules for chalcogenide thin films towards on-chip highly non-linear optical components in the mid-infrared [Paper presentation]. EPCOS 2019, Grenoble, France.

Raty, J.-Y., & Noé, P. (09 September 2019). Ovonic Threshold Switching in Ge-Se glasses from an atomistic point-of-view : the crucial role of the metavalent bonding mechanism (invited) [Paper presentation]. EPCOS 2019, Grenoble, France.

Martinez, P., Gaudin, J., Papagiannouli, E., Blanchet, V., Descamps, D., Fourment, C., Petit, S., Raty, J.-Y., Bernier, N., Dory, J.-B., & Noé, P. (20 May 2019). Ultrafast dynamics of phase transition in Chalcogenide Phase-Change Materials [Paper presentation]. EMRS spring meeting 2020, Nice, France.

Raty, J.-Y. (2019). Phase Change Materials for Non-Volatile Memories : Properties and Optimization through Ab Initio Simulation (Invited) [Paper presentation]. 236 ECS (Electrochemical Society) meeting, Atlanta, United States.

Ibarra Hernandez, W., & Raty, J.-Y. (04 March 2015). Ab Initio DFT study of electronic and thermoelectric properties of crystalline Ge2Sb2Te5 [Paper presentation]. APS March Meeting 2015, San Antonio, United States.

Raty, J.-Y., Zhang, W., Luckas, J., Mazzarello, R., Bichara, C., & Wuttig, M. (08 September 2014). Aging mechanisms in amorphous GeTe (Invited) [Paper presentation]. E\PCOS 2014 Symposium, Marseille, France.

Ibarra Hernandez, W., & Raty, J.-Y. (09 July 2014). Thermoelectric properties of two stacking sequences of crystalline GST-225 [Poster presentation]. International Conference on Thermoelectrics - ICT2014, Nashville, United States.

Hippert, F., Raty, J.-Y., Noé, P., Ghezzi, G., & Maîtrejean, S. (26 July 2013). Local order, dynamics and stability of C and N doped phase change materials (Invited) [Paper presentation]. 7th Internation Discussion Meeting on Relaxationin Complex Systems (7th IRDMCS), Barcelone, Spain.

Raty, J.-Y., & Bichara, C. (04 June 2013). Structure, dynamical properties and topology of GST phase change materials (Invited) [Paper presentation]. 10th Pacific Rim Conference on Ceramic and Glass Technology (PACRIM10), San Diego, United States.

Noé, P., Raty, J.-Y., Ghezzi, G., Hippert, F., Fillot, F., Gourvest, E., Souchier, E., Perniola, L., Sousa, V., Hubert, Q., Persico, A., Henaff, E., Tessaire, M., Delaye, V., Bichara, C., & Maitrejean, S. (05 April 2013). The role of C and N dopants incorporation in phase change materials [Paper presentation]. MRS Spring Meeting 2013, San Francisco, United States.

Terwagne, D., Mack, N., Dorbolo, S., Gilet, T., Raty, J.-Y., & Vandewalle, N. (March 2009). The mayonnaise droplet [Poster presentation]. APS March meeting, Pittsburgh, United States - Pennsylvania.