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. (18 January 2024). Simulating Phase Change Materials : how crystal bonding features lead to the formation of a non-Zachariasen glass [Paper presentation]. 2ème séminaire de la fédération MatV2L, Limoges, France. |
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. (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. (10 April 2023). Tutorial : How Bonding Features lead to the Properties of Phase Change Materials (invited) [Paper presentation]. MRS spring Meeting 2023, San Francisco, United States - California. |
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. (02 June 2021). Theoretical study of the opto-electronic properties of Cu2ZnXS4 (X=Sn,Ge,Si) kesterites for solar cell efficiency modelling [Poster presentation]. European Materials Research Society (EMRS) Spring meeting 2021, France. |
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. |
Martinez, P., Papagiannouli, I., Descamps, D., Petit, S., Marthelot, J., Lévy, A., Fabre, B., Dory, J.-B., Bernier, N., Raty, J.-Y., Noé, P., & Gaudin, J. (August 2020). Laser Generation of Sub-Micrometer Wrinkles in a Chalcogenide Glass Film as Physical Unclonable Functions. Advanced Materials, 32 (n/a), 2003032. doi:10.1002/adma.202003032 |
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 |
Raty, J.-Y. (03 December 2019). Phase Change Materials : Characterisation and implications of ‘Metavalent’ Bonding [Paper presentation]. Seminaire Invité, Marseille, France. |
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. (08 May 2019). Bonding and properties in phase change materials through ab initio simulations [Paper presentation]. Séminaire invité, Bordeaux, France. |
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., Schumacher, M., Golub, P., Deringer, V., & Wuttig, M. (04 March 2019). A quantum-mechanical map for bonding and properties in materials [Paper presentation]. APS March Meeting 2019, Boston, United States. |
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 |
Noé, P., Verdy, A., Raty, J.-Y., d'Acapito, F., Navarro, G., Hippert, F., Gaudin, J., & bernard, M. (04 April 2018). Atomistic Insight on the Threshold Switching Mechanism in Innovative Amorphous Chalcogenide Thin Films Used in Advanced OTS Selector Devices [Paper presentation]. MRS Spring Meeting 2018, Phoenix, United States. |
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 |
Noé, P., Vallée, C., Hippert, F., Fillot, F., & Raty, J.-Y. (2018). Phase Change Materials for Non-Volatile Memory devices: From Technological Challenges to Materials Science Issues. Semiconductor Science and Technology. doi:10.1088/1361-6641/aa7c25 |
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 |
Raty, J.-Y. (28 September 2017). Defining Resonant Bonding: Why Are Phase Change Materials Unique ? (Invited) [Paper presentation]. Internatrional Workshop on Characterization and Modelling of Memory Devices 2017 (IWCM2), Milan, Italy. |
Piarristeguy, A., Pradel, A., & Raty, J.-Y. (2017). Phase-change materials and rigidity. MRS Bulletin, 42 (1), 45-49. doi:10.1557/mrs.2016.302 |
Yildirim, C., Raty, J.-Y., & Micoulaut, M. (13 June 2016). Anomalous diffusion and non-monotonic relaxation processes in Ge-Se liquids. Journal of Chemical Physics, 144. doi:10.1063/1.4953077 |
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. (28 March 2016). Tutorial : Theoretical Aspects and Ab Initio Simulations (invited) [Paper presentation]. 2016 MRS spring meeting, Phoenix, United States. |
Raty, J.-Y. (28 March 2016). Theoretical Aspects and Ab Initio Simulations (Invited Tutorial) [Paper presentation]. 2016 MRS spring meeting, Phoenix, United States. |
Raty, J.-Y. (09 November 2015). Ab Initio Perspective on Stability and Aging in Phase Change Materials [Paper presentation]. IJB-R12 meeting, Metz, France. |
Raty, J.-Y. (17 September 2015). Stability and Aging of Phase Change Materials : An Ab Initio Perspective (Invited) [Paper presentation]. 26th International Conference on Amorphous and Nanocrystalline Semiconductors, Aachen, Germany. |
Raty, J.-Y. (18 August 2015). AGING MECHANISMS IN AMORPHOUS PHASE CHANGE MATERIALS [Paper presentation]. XXIV International Materials Research Congress, Cancun, Mexico. |
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 |
Raty, J.-Y. (23 June 2015). Aging mechanisms in amorphous phase-change materials (Invited) [Paper presentation]. 2nd International Workshop on Challenges of Atomistic Simulations of Glasses and Amorphous Materials, Wuhan, China. |
Yildirim, C., Micoulaut, M., & Raty, J.-Y. (20 May 2015). Structural properties of densified GexSe1-x glasses (Invited) [Paper presentation]. 2015 ACerS GOMD–DGG Joint Meeting, Miami, United States. |
Raty, J.-Y., Zhang, W., Luckas, J., Mazzarello, R., Bichara, C., & Wuttig, M. (18 May 2015). Aging mechanisms in amorphous GeTe [Paper presentation]. 2015 Glass & Optical Materials Division and Deutsche Glastechnische Gesellschaft ACerS GOMD–DGG Joint Meeting, Miami, United States. |
Raty, J.-Y., Zhang, W., Luckas, J., Mazzarello, R., Bichara, C., & Wuttig, M. (08 April 2015). Aging Mechanisms in Amorphous GeTe [Paper presentation]. MRS spring metting 2015, San Francisco, 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., Otjacques, C., Peköz, R., Lordi, V., & Bichara, C. (2015). Amorphous phase change materials: Structure, stability and relation with their crystalline phase. In C. Massobrio, D. Jincheng, M. Bernasconi, ... P. Salmon (Eds.), Molecular Dynamics Simulations of Disordered Materials (pp. 485-509). Berlin, Germany: Springer International Publishing. doi:10.1007/978-3-319-15675-0_18 |
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. |
Micoulaut, M., Coulet, M. V., Piarristeguy, A., Johnson, M., Cuello, G., Bichara, C., Raty, J.-Y., Flores-Ruiz, H., & Pradel, A. (30 May 2014). Effect of concentration in Ge-Te liquids: A combined density functional and neutron scattering study. Physical Review. B, Solid State, 89 (17), 174205. doi:10.1103/PhysRevB.89.174205 |
Raty, J.-Y., Wuttig, M., & Bichara, C. (24 April 2014). Importance of Dispersion Forces for the Simulation of Amorphous Phase Change Materials [Paper presentation]. MRS Spring Meeting 2014, San Francisco, 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 |
Sbiaai, K., Eddiai, A., Boughaleb, Y., Mazroui, M., Raty, J.-Y., Meddad, M., & Kara, A. (2014). Diffusion processes of trimers on missing row surfaces: Cu3Ag (110) and Ag3 Cu(110). Optical and Quantum Electronics, 46 (1), 15-22. doi:10.1007/s11082-013-9691-3 |
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., Malcioglu, O. B., & Bichara, C. (April 2013). Ab Initio Molecular Dynamics Simulation of Liquid and Amorphous Te [Paper presentation]. MRS Spring Meeting 2013, San Francisco, United States. |
Malcioǧlu, O. B., & Raty, J.-Y. (2013). Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal. Advanced Optical Materials, 1 (3), 239-243. doi:10.1002/adom.201200037 |
Malcioǧlu, O. B., & Raty, J.-Y. (2013). CdTe Nanocrystals: Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal (Advanced Optical Materials 3/2013). Advanced Optical Materials, 1 (3), 238-238. doi:10.1002/adom.201370022 |
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 |
Maitrejean, S., Ghezzi, G., Gourvest, E., Beneventi, G. B., Fantini, A., Pashkov, N., Navarro, G., Roule, A., Fillot, F., Noe, P., Lhostis, S., Cueto, O., Jahan, C., Nodin, J. F., Persico, A., Armand, M., Dussault, L., Vallé, C., Michallon, P., ... De Salvo, B. (2012). Phase Change Memories challenges: A material and process perspective. IEEE International Interconnect Technology Conference. doi:10.1109/IITC.2012.6251591 |
Perniola, L., Noe, P., Hubert, Q., Souiki, S., Ghezzi, G., Navarro, G., Cabrini, A., Persico, A., Delaye, V., Blachier, D., Barnes, J.-P., Henaff, E., Tessaire, M., Souchier, E., Roule, A., Fillot, F., Ferrand, J., Fargeix, A., Hippert, F., ... Reimbold, G. (2012). Ti impact in C-doped phase-change memories compliant to Pb-free soldering reflow. Technical Digest - International Electron Devices Meeting, IEDM, 18.7.1-18.7.4. doi:10.1109/IEDM.2012.6479069 |
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 |
Sbiaai, K., Boughaleb, Y., Raty, J.-Y., Hajjaji, A., Arabaoui, A., Kara, A., & Sahraoui, B. (2012). Diffusion of Ag dimer on Cu (110) by dissociation-reassociation and concerted jump processes. International Conference on Transparent Optical Networks. doi:10.1109/ICTON.2012.6253824 |
Sbiaai, K., Boughaleb, Y., Raty, J.-Y., Hajjaji, A., Mazroui, M., & Kara, A. (2012). Numerical study of atomic diffusion processes of copper on silver (110) surface: Cu/Ag (110). Journal of Optoelectronics and Advanced Materials, 14 (11-12), 1059-1065. |
Ghezzi, G. E., Raty, J.-Y., Maitrejean, S., Roule, A., Elkaim, E., & Hippert, F. (2011). Effect of carbon doping on the structure of amorphous GeTe phase change material [letter to the editor]. Applied Physics Letters, 99 (15), 151906 (3 pp.)-151906 (3 pp.)151906 (3. doi:10.1063/1.3651321 |
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 |
Pekoz, R., Malcioglu, O. B., & Raty, J.-Y. (2011). First-principles design of efficient solar cells using two-dimensional arrays of core-shell and layered SiGe nanowires. Physical Review. B, Condensed Matter and Materials Physics, 83 (3), 035317 (6 pp.)-035317 (6 pp.)035317 (6. doi:10.1103/PhysRevB.83.035317 |
Pekoz, R., & Raty, J.-Y. (2011). Band structure modulation of ZnSe/ZnTe nanowires under strain. Physical Review. B, Condensed Matter and Materials Physics, 84 (16), 165444 (8 pp.)-165444 (8 pp.)165444 (8. doi:10.1103/PhysRevB.84.165444 |
Micoulaut, M., Raty, J.-Y., Otjacques, C., & Bichara, C. (2010). Understanding amorphous phase-change materials from the viewpoint of Maxwell rigidity. Physical Review. B, Condensed Matter and Materials Physics, 81 (17), 174206 (10 pp.)-174206 (10 pp.)174206 (10. doi:10.1103/PhysRevB.81.174206 |
Otjacques, C., Raty, J.-Y., Hippert, F., Schober, H., Johnson, M., Céolin, & Gaspard, J.-P. (2010). Structural and vibrational study of the negative thermal expansion in liquid As2Te3. Physical Review. B, Condensed Matter and Materials Physics, 82 (5), 054202 (9. doi:10.1103/PhysRevB.82.054202 |
Periyasamy, G., Durgun, E., Raty, J.-Y., & Remacle, F. (2010). DFT studies of solvation effects on the nanosize bare, thiolated and redox active ligated Au55 cluster. Journal of Physical Chemistry. C, Nanomaterials and interfaces, Protected Metallic Clusters, Quantum Wells and Metal-Nanocrystal Molecules Symposium, 10.1021/jp9119827. doi:10.1021/jp9119827 |
Raty, J.-Y., Otjacques, C., Gaspard, J.-P., & Bichara, C. (2010). Amorphous structure and electronic properties of the Ge1Sb2Te4 phase change material. Solid State Sciences, 12 (2), 193-198198. doi:10.1016/j.solidstatesciences.2009.06.018 |
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. |
Durgun, E., Ghosez, P., Shaltaf, R., Gonze, X., & Raty, J.-Y. (2009). Polarization vortices in germanium telluride nanoplatelets: A theoretical study [letter to the editor]. Physical Review Letters, 103, 247601. doi:10.1103/PhysRevLett.103.247601 |
Otjacques, C., Raty, J.-Y., Coulet, M.-V., Johnson, M., Schober, H., Bichara, C., & Gaspard, J.-P. (2009). Dynamics of the negative thermal expansion in tellurium based liquid alloys [letter to the editor]. Physical Review Letters, 103 (24), 245901 (4 pp.)-245901 (4 pp.)245901 (4. doi:10.1103/PhysRevLett.103.245901 |
Pekoz, R., & Raty, J.-Y. (2009). From bare Ge nanowire to Ge/Si core/shell nanowires: a first-principles study. Physical Review. B, Condensed Matter and Materials Physics, 80 (15), 155432 (7 pp.)-155432 (7 pp.)155432 (7. doi:10.1103/PhysRevB.80.155432 |
Terwagne, D., Mack, N., Dorbolo, S., Gilet, T., Raty, J.-Y., & Vandewalle, N. (2009). The mayonnaise droplet. Chaos. doi:10.1063/1.3202626 |
Durgun, E., Shaltaf, R., Gonze, X., Ghosez, P., & Raty, J.-Y. (December 2008). Polarization Vortices in GeTe Nanoclusters [Paper presentation]. MRS fall meeting, Boston, United States. |
Shaltaf, R., Durgun, E., Raty, J.-Y., Ghosez, P., & Gonze, X. (2008). Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory. Physical Review. B, Condensed Matter and Materials Physics, 78, 205203. doi:10.1103/PhysRevB.78.205203 |
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 |
Hammad, G., Raty, J.-Y., & Ghosez, P. (March 2006). Structure and electronic properties of GeTe nanoparticles from ab initio calculations [Paper presentation]. 2006 March Meeting of the American Physical Society, Baltimore, United States. |
Raty, J.-Y., & Galli, G. (01 October 2005). Optical properties and structure of nanodiamonds. Journal of Electroanalytical Chemistry, 584 (1 Sp. Iss. SI), 9-12. doi:10.1016/j.jelechem.2004.10.032 |
Bichara, C., Johnson, M., & Raty, J.-Y. (2005). Temperature-induced density anomaly in Te-rich liquid Germanium tellurides: p versus sp 3 bonding? [letter to the editor]. Physical Review Letters, 95 (26), 267801/1-267801/4267801/4. doi:10.1103/PhysRevLett.95.267801 |
Gonze, X., Rignanese, G.-M., Verstraete, M., Beuken, J.-M., Pouillon, Y., Caracas, R., Jollet, F., Torrent, M., Zerah, G., Mikami, M., Ghosez, P., Raty, J.-Y., Veithen, M., Olevano, V., Reining, L., Godby, R., Onida, G., Hamann, D., & Allan, D. C. (2005). A brief introduction to the ABINIT software project. Zeitschfrift für Kristallographie, 220, 558-562. doi:10.1524/zkri.220.5.558.65066 |
Raty, J.-Y., & Galli, G. (2005). First principle study of nanodiamond optical and electronic properties. Computer Physics Communications, 169 (1-3), 14-1919. doi:10.1016/j.cpc.2005.03.005 |
Raty, J.-Y., Gygi, F., & Galli, G. (2005). Growth of carbon nanotubes on metal nanoparticles: a microscopic mechanism from ab initio molecular dynamics simulations [letter to the editor]. Physical Review Letters, 95 (9), 096103/1-096103/4096103/4. doi:10.1103/PhysRevLett.95.096103 |
Bichara, C., Raty, J.-Y., & Pellenq, R. (10 August 2004). A thermodynamic investigation of selenium confined in silicalite zeolite. Molecular Simulation, 30 (9), 601-606. doi:10.1080/08927020410001717218 |
Delheusy, M., Raty, J.-Y., Detemple, R., Welnic, W., Wuttig, M., & Gaspard, J.-P. (2004). Structure of liquid Te-based alloys used in rewritable DVDs. Physica B. Condensed Matter, 350 (1-3 SUPPL. 1), 1055-e1057. doi:10.1016/j.physb.2004.03.289 |
Gaspard, J.-P., & Raty, J.-Y. (September 2003). Structure of liquid semiconductors. Journal de Physique IV, 111, 125-145. |
Raty, J.-Y., Gaspard, J.-P., & Bichara, C. (15 January 2003). Properties of molten Ge chalcogenides: an ab initio molecular dynamics study. Journal of Physics: Condensed Matter, 15 (1 Sp. Iss. SI), 167-S173. doi:10.1088/0953-8984/15/1/321 |
Benedict, L. X., Puzder, A., Williamson, A. J., Grossman, J. C., Galli, G., Klepeis, J. E., Raty, J.-Y., & Pankratov, O. (2003). Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation. Physical Review. B, Condensed Matter, 68 (8), 85310-1-85310-85310-885310-85310-8. doi:10.1103/PhysRevB.68.085310 |
Raty, J.-Y., & Galli, G. (2003). Ultradispersity of diamond at the nanoscale [letter to the editor]. Nature Materials, 2 (12), 792-795795. doi:10.1038/nmat1018 |
Raty, J.-Y., Galli, G., Bostedt, C., van Buuren, T. W., & Terminello, L. J. (2003). Quantum confinement and fullerenelike surface reconstructions in nanodiamonds [letter to the editor]. Physical Review Letters, 90 (3), 037401/1-037401/4037401/4. doi:10.1103/PhysRevLett.90.037401 |
Raty, J.-Y., Godlevsky, V. V., Gaspard, J.-P., Bichara, C., Bionducci, M., Bellissent, R., Ceolin, R., Chelikowsky, J. R., & Ghosez, P. (15 March 2002). Local structure of liquid GeTe via neutron scattering and ab initio simulations. Physical Review. B, Condensed Matter and Materials Physics, 65, 115205. doi:10.1103/PhysRevB.65.115205 |
Bichara, C., Gaspard, J.-P., & Raty, J.-Y. (2002). Computer simulation of liquid semiconductors. Journal of Non-Crystalline Solids, 312, 341-348. doi:10.1016/S0022-3093(02)01715-5 |
Bichara, C., Raty, J.-Y., & Pellenq, R.-M. (2002). Adsorption of selenium wires in silicalite-1 zeolite: a first order transition in a microporous system [letter to the editor]. Physical Review Letters, 89 (1), 016101-1-016101-016101-4016101-016101-4. doi:10.1103/PhysRevLett.89.016101 |
Gonze, X., Beuken, J. M., Caracas, R., Detraux, F., Fuchs, M., Rignanese, G. M., Sindic, L., Verstraete, M., Zerah, G., Jollet, F., Torrent, M., Roy, A., Mikami, M., Ghosez, P., Raty, J.-Y., & Allan, D. C. (2002). First-principles computation of material properties: the ABINIT software project. Computational Materials Science, 25 (3), 478-492. doi:10.1016/S0927-0256(02)00325-7 |
Raty, J.-Y., Godlevsky, V., Ghosez, P., Bichara, C., Gaspard, J.-P., & Chelikovsky, J. (13 January 2001). Evidence of a reentrant Peierls distortion in liquid GeTe [Poster presentation]. 10th International Workshop on Computational Material Sciences : Total energy and Force Methods, Trieste, Italy. |
Chelikowsky, J. R., Derby, J. J., Godlevsky, V. V., Jain, M., & Raty, J.-Y. (2001). Ab initio simulations of liquid semiconductors using the pseudopotential-density functional method. Journal of Physics: Condensed Matter, 13 (41), 817-R854R854. doi:10.1088/0953-8984/13/41/201 |
Raty, J.-Y., Godlevsky, V. V., Gaspard, J.-P., Bichara, C., Bionducci, M., Bellissent, R., Ceolin, R., Chelikowsky, J. R., & Ghosez, P. (2001). Distance correlations and dynamics of liquid GeSe: An ab initio molecular dynamics study. Physical Review. B, Condensed Matter and Materials Physics, 64, 235209. doi:10.1103/PhysRevB.64.235209 |
Raty, J.-Y., Gaspard, J.-P., Ghosez, P., Bichara, C., Chelikowsky, J., & Godlevsky, V. (24 March 2000). Structure and dynamics of liquid GeTe : Evidence for a reentrant Peierls distortion [Paper presentation]. 2000 March meeting of the American Physical Society, Minneapolis, United States. |
Raty, J.-Y., Gaspard, J.-P., Bichara, C., Bergman, C., Bellissent, R., & Ceolin, R. (2000). Re-entrant Peierls distortion in IV-VI compounds. Physica B. Condensed Matter, 276-278, 473-474474. doi:10.1016/S0921-4526(99)01268-5 |
Raty, J.-Y., Godlevsky, V., Ghosez, P., Bichara, C., Gaspard, J.-P., & Chelikowsky, J. R. (2000). Evidence of a reentrant Peierls distortion in liquid GeTe [letter to the editor]. Physical Review Letters, 85 (9), 1950-1953. doi:10.1103/PhysRevLett.85.1950 |
Raty, J.-Y., Saul, A., Gaspard, J.-P., & Bichara, C. (2000). Structural and electronic properties of high-temperature fluid selenium. Computational Materials Science, 17 (2-4), 239-242242. doi:10.1016/S0927-0256(00)00031-8 |
Bichara, C., Raty, J.-Y., & Gaspard, J.-P. (1999). Structure of high temperature fluid selenium. Journal of Non-Crystalline Solids, 250-252, 419-422422. doi:10.1016/S0022-3093(99)00271-9 |
Raty, J.-Y., Gaspard, J.-P., Bionducci, M., Ceolin, R., & Bellissent, R. (1999). On the structure of liquid IV-VI semiconductors. Journal of Non-Crystalline Solids, 250-252, 277-280280. doi:10.1016/S0022-3093(99)00236-7 |
Raty, J.-Y., Gaspard, J.-P., Le Bihan, T., Mezouar, M., & Bionducci, M. (1999). Local order of the high-pressure metallic phase of liquid selenium: a diffraction study. Journal of Physics: Condensed Matter, 11 (50), 10243-1024910249. doi:10.1088/0953-8984/11/50/316 |
Raty, J.-Y., Saul, A., Gaspard, J.-P., & Bichara, C. (1999). Structure of high-temperature fluid selenium. Physical Review. B, Condensed Matter, 60 (4), 2441-24482448. doi:10.1103/PhysRevB.60.2441 |
Gaspard, J.-P., Bichara, C., Raty, J.-Y., Gonis, A., & Colombo, L. (1998). Covalent liquids: tight binding simulation versus experimental results [Paper presentation]. Tight-Binding Approach to Computational Materials Science. Symposium Boston, MA, USA, Boston, United States. |
Raty, J.-Y., Gaspard, J.-P., Céolin, R., & Bellissent, R. (1998). Evolution of the Peierls distortion in liquid As xSb 1-x compounds. Journal of Non-Crystalline Solids, 232-234, 59-64. doi:10.1016/S0022-3093(98)00484-0 |
Raty, J.-Y., Gaspard, J.-P., Ceolin, R., & Bellissent, R. (1997). A cinnabar local order in liquid II-VI compounds. Physica B. Condensed Matter. doi:10.1016/S0921-4526(97)89259-9 |
Bichara, C., Raty, J.-Y., & Gaspard, J.-P. (1996). Structure and bonding in liquid tellurium. Physical Review. B, Condensed Matter and Materials Physics, 53 (1), 206-211211. doi:10.1103/PhysRevB.53.206 |
Bichara, C., Raty, J.-Y., & Gaspard, J.-P. (1996). On the structure of liquid tellurium. Journal of Non-Crystalline Solids, 205-207, 361-364364. doi:10.1016/S0022-3093(96)00443-7 |
Gaspard, J.-P., Raty, J.-Y., Ceolin, R., & Bellissent, R. (1996). Local orders in II-VI liquid compounds. Journal of Non-Crystalline Solids, 205-207, 75-7878. doi:10.1016/S0022-3093(96)00215-3 |
Perdang, J., Raty, J.-Y., Tomassini, M., & Lejeune, A. (1994). 2D cellular automata for turbulent convection. In R. Gruber & M. Tomassini (Eds.), Proceedings of the 6th Joint EPS-APS International Conference on Physics Computing. PC'94. Physics Computing '94 (pp. 527-530530). Geneva, Switzerland: Eur. Phys. Soc. |