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 |
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. (2023). 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 |
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. |
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 |
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. |
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. (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. |
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 |
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. |
Ratz, T., Raty, J.-Y., Brammertz, G., Vermang, B., & Nguyen, N. D. (2020). Opto-electronic properties and solar cell efficiency modelling of Cu2ZnXS4 (X=Sn,Ge,Si) kesterites. ORBi-University of Liège. https://orbi.uliege.be/handle/2268/253652. |
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 |
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. (20 March 2019). Bonding and Properties of Phase Change Materials through Ab Initio Simulations [Paper presentation]. Séminaire scientifique, Bordeaux, France. |
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). 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. |
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 |
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. |
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 |
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. |
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 |
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. |
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 |
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 |
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. |
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. |