Olivier Delaire | Scholars@Duke

Olivier Delaire
Associate Professor of Mechanical Engineering and Materials Science

The Delaire group investigates atomistic transport processes of energy and charge, and thermodynamics in energy materials. We use a combined experimental and computational approach to understand and control microscopic energy transport for the design of next-generation materials, in particular for sustainable energy applications. Current materials of interest include superionic conductors, photovoltaics, thermoelectrics, ferroelectrics/multiferroics, and metal-insulator transitions. Our group's studies provide fundamental insights into atomic dynamics and elementary excitations in condensed-matter systems (phonons, electrons, spins), their couplings and their effects on macroscopic properties. We probe the microscopic underpinnings of transport and thermodynamics properties by integrating neutron and x-ray scattering, optical spectroscopy, and thermal characterization, together with quantum-mechanical computer simulations.

Current Research Interests

Olivier Delaire investigates atomic dynamics in materials, focusing on problems at the interface of Materials Science, Physics and Chemistry. His research group utilizes a range of experimental and computational approaches, including neutron and x-ray scattering techniques, optical spectroscopy, and first-principles quantum materials simulations.

Current Appointments & Affiliations

Associate Professor of Mechanical Engineering and Materials Science, Thomas Lord Department of Mechanical Engineering and Materials Science, Pratt School of Engineering 2019
Associate Professor of Physics, Physics, Trinity College of Arts & Sciences 2016
Associate Professor of Chemistry, Chemistry, Trinity College of Arts & Sciences 2019
Faculty Network Member of The Energy Initiative, Nicholas Institute-Energy Initiative, Initiatives 2016

Contact Information

144 Hudson Hall, Box 90300, Durham, NC 27708
387 Gross Hall, Durham, NC 27708
olivier.delaire@duke.edu (919) 660-5310
Delaire research group

Background
Education, Training, & Certifications
- Ph.D., California Institute of Technology 2006
- M.Sc., Pennsylvania State University 2000
Previous Appointments & Affiliations
- Associate Professor of Mechanical Engineering and Materials Science, Thomas Lord Department of Mechanical Engineering and Materials Science, Pratt School of Engineering 2016 - 2018
Recognition
In the News
- JAN 13, 2022 Pratt School of Engineering
  
  Molecular Paddlewheels Propel Sodium Ions Through Next-Generation Batteries
- MAR 15, 2021 Pratt School of Engineering
  
  Twisting, Flexible Crystals Key to Solar Energy Production
- SEP 4, 2020 Phys.org
  
  'Floppy' atomic dynamics help turn heat into electricity
- MAY 27, 2020 Oak Ridge National Laboratory
  
  ORNL spectrometry research advances race toward safer rechargeable batteries
- APR 13, 2020 Pratt School of Engineering
  
  New Handle for Controlling Electromagnetic Properties Could Enable Spintronic Computing
- OCT 8, 2018 Pratt School of Engineering
  
  Copper Ions Flow Like Liquid through the Frozen Atomic Network of a Crystal
- FEB 2, 2017 Forbes
  
  This Metal Conducts Electricity But Not Heat
- OCT 22, 2015 Pratt School of Engineering
  
  Olivier Delaire: Designing Thermoelectric Materials One Atom at a Time
Awards & Honors
Research
External Relationships
- US Department of Energy
Publications & Artistic Works
Selected Publications
- Academic Articles
  - Ren, Qingyong, Mayanak K. Gupta, Min Jin, Jingxuan Ding, Jiangtao Wu, Zhiwei Chen, Siqi Lin, et al. “Extreme phonon anharmonicity underpins superionic diffusion and ultralow thermal conductivity in argyrodite Ag₈SnSe₆.” Nature Materials, May 2023. https://doi.org/10.1038/s41563-023-01560-x.
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  - Chen, Lebing, Chengjie Mao, Jae-Ho Chung, Matthew B. Stone, Alexander I. Kolesnikov, Xiaoping Wang, Naoki Murai, Bin Gao, Olivier Delaire, and Pengcheng Dai. “Anisotropic magnon damping by zero-temperature quantum fluctuations in ferromagnetic CrGeTe₃.” Nature Communications 13, no. 1 (July 2022): 4037. https://doi.org/10.1038/s41467-022-31612-w.
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  - Gupta, M. K., J. Ding, D. Bansal, D. L. Abernathy, G. Ehlers, N. C. Osti, W. G. Zeier, and O. Delaire. “Strongly Anharmonic Phonons and Their Role in Superionic Diffusion and Ultralow Thermal Conductivity of Cu7PSe6.” Advanced Energy Materials 12, no. 23 (June 1, 2022). https://doi.org/10.1002/aenm.202200596.
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  - Li, J., L. Wu, S. Yang, X. Jin, W. Wang, J. Tao, L. Boatner, et al. “Direct Detection of V-V Atom Dimerization and Rotation Dynamic Pathways upon Ultrafast Photoexcitation in VO2.” Physical Review X 12, no. 2 (June 1, 2022). https://doi.org/10.1103/PhysRevX.12.021032.
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  - Sala, G., M. Mourigal, C. Boone, N. P. Butch, A. D. Christianson, O. Delaire, A. J. DeSantis, et al. “CHESS: The future direct geometry spectrometer at the second target station.” The Review of Scientific Instruments 93, no. 6 (June 2022): 065109. https://doi.org/10.1063/5.0089740.
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  - Huang, Y., S. Yang, S. Teitelbaum, G. De La Peña, T. Sato, M. Chollet, D. Zhu, et al. “Observation of a Novel Lattice Instability in Ultrafast Photoexcited SnSe.” Physical Review X 12, no. 1 (March 1, 2022). https://doi.org/10.1103/PhysRevX.12.011029.
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  - Jiang, M. P., S. Fahy, A. Hauber, É. D. Murray, I. Savić, C. Bray, J. N. Clark, et al. “Observation of photo-induced plasmon-phonon coupling in PbTe via ultrafast x-ray scattering.” Structural Dynamics (Melville, N.Y.) 9, no. 2 (March 2022): 024301. https://doi.org/10.1063/4.0000133.
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  - Guzelturk, B., M. Trigo, O. Delaire, D. A. Reis, and A. M. Lindenberg. “Dynamically Tunable Terahertz Emission Enabled by Anomalous Optical Phonon Responses in Lead Telluride.” Acs Photonics 8, no. 12 (December 15, 2021): 3633–40. https://doi.org/10.1021/acsphotonics.1c01291.
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  - Gupta, M. K., J. Ding, N. C. Osti, D. L. Abernathy, W. Arnold, H. Wang, Z. Hood, and O. Delaire. “Fast Na diffusion and anharmonic phonon dynamics in superionic Na3PS4.” Energy and Environmental Science 14, no. 12 (December 1, 2021): 6554–63. https://doi.org/10.1039/d1ee01509e.
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  - Rettie, Alexander J. E., Jingxuan Ding, Xiuquan Zhou, Michael J. Johnson, Christos D. Malliakas, Naresh C. Osti, Duck Young Chung, et al. “A two-dimensional type I superionic conductor.” Nature Materials 20, no. 12 (December 2021): 1683–88. https://doi.org/10.1038/s41563-021-01053-9.
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  - Gupta, M. K., R. Mittal, S. Kumar, B. Singh, N. H. Jalarvo, O. Delaire, R. Shukla, et al. “Stoichiometric tuning of lattice flexibility and Na diffusion in NaAlSiO4: quasielastic neutron scattering experiment andab initiomolecular dynamics simulations.” Journal of Materials Chemistry A 9, no. 29 (August 7, 2021): 16129–36. https://doi.org/10.1039/d1ta03296h.
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  - Wang, Jiuling, Jingxuan Ding, Olivier Delaire, and Gaurav Arya. “Atomistic Mechanisms Underlying Non-Arrhenius Ion Transport in Superionic Conductor AgCrSe₂.” Acs Applied Energy Materials 4, no. 7 (July 26, 2021): 7157–67. https://doi.org/10.1021/acsaem.1c01237.
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  - Lanigan-Atkins, T., X. He, M. J. Krogstad, D. M. Pajerowski, D. L. Abernathy, Guangyong N. M. N. Xu, Zhijun Xu, et al. “Two-dimensional overdamped fluctuations of the soft perovskite lattice in CsPbBr3.” Nat Mater 20, no. 7 (July 2021): 977–83. https://doi.org/10.1038/s41563-021-00947-y.
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  - Gupta, M. K., R. Mittal, B. Singh, O. Delaire, S. N. Achary, S. Rols, A. K. Tyagi, and S. L. Chaplot. “Phonons and lithium diffusion in LiAlO2.” Physical Review B 103, no. 17 (May 13, 2021). https://doi.org/10.1103/PhysRevB.103.174109.
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  - Ding, Jingxuan, Tyson Lanigan-Atkins, Mario Calderón-Cueva, Arnab Banerjee, Douglas L. Abernathy, Ayman Said, Alexandra Zevalkink, and Olivier Delaire. “Soft anharmonic phonons and ultralow thermal conductivity in Mg3(Sb, Bi)2 thermoelectrics.” Science Advances 7, no. 21 (May 2021): eabg1449. https://doi.org/10.1126/sciadv.abg1449.
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  - Calderón-Cueva, M., W. Peng, S. M. Clarke, J. Ding, B. L. Brugman, G. Levental, A. Balodhi, et al. “Anisotropic Structural Collapse of Mg3Sb2and Mg3Bi2at High Pressure.” Chemistry of Materials 33, no. 2 (January 26, 2021): 567–73. https://doi.org/10.1021/acs.chemmater.0c03678.
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  - Niedziela, J. L., D. Bansal, J. Ding, T. Lanigan-Atkins, C. Li, A. F. May, H. Wang, et al. “Controlling phonon lifetimes via sublattice disordering in AgBiSe2.” Physical Review Materials 4, no. 10 (October 12, 2020). https://doi.org/10.1103/PhysRevMaterials.4.105402.
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  - Wang, J., J. A. Dolyniuk, E. H. Krenkel, J. L. Niedziela, M. A. Tanatar, E. I. Timmons, T. Lanigan-Atkins, et al. “Clathrate BaNi2P4: An Interplay of Heat and Charge Transport Due to Strong Host-Guest Interactions.” Chemistry of Materials 32, no. 18 (September 22, 2020): 7932–40. https://doi.org/10.1021/acs.chemmater.0c02758.
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  - Lanigan-Atkins, T., S. Yang, J. L. Niedziela, D. Bansal, A. F. May, A. A. Puretzky, J. Y. Y. Lin, et al. “Extended anharmonic collapse of phonon dispersions in SnS and SnSe.” Nature Communications 11, no. 1 (September 4, 2020). https://doi.org/10.1038/s41467-020-18121-4.
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  - Ding, Jingxuan, Jennifer L. Niedziela, Dipanshu Bansal, Jiuling Wang, Xing He, Andrew F. May, Georg Ehlers, et al. “Anharmonic lattice dynamics and superionic transition in AgCrSe ₂.” Proceedings of the National Academy of Sciences 117, no. 8 (February 25, 2020): 3930–37. https://doi.org/10.1073/pnas.1913916117.
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  - Bansal, Dipanshu, Jennifer L. Niedziela, Stuart Calder, Tyson Lanigan-Atkins, Ryan Rawl, Ayman H. Said, Douglas L. Abernathy, Alexander I. Kolesnikov, Haidong Zhou, and Olivier Delaire. “Magnetically driven phonon instability enables the metal–insulator transition in h-FeS.” Nature Physics, 2020. https://doi.org/10.1038/s41567-020-0857-1.
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  - He, Xing, Dipanshu Bansal, Barry Winn, Songxue Chi, Lynn Boatner, and Olivier Delaire. “Anharmonic Eigenvectors and Acoustic Phonon Disappearance in Quantum Paraelectric SrTiO3.” Physical Review Letters 124, no. 14 (2020). https://doi.org/10.1103/physrevlett.124.145901.
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  - Bansal, D., J. L. Niedziela, X. He, T. Lanigan-Atkins, A. Said, A. Alatas, D. L. Abernathy, et al. “Lattice dynamics of the hybrid improper ferroelectrics (Ca,Sr)3Ti2 O7.” Physical Review B 100, no. 21 (December 6, 2019). https://doi.org/10.1103/PhysRevB.100.214304.
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  - Neu, J., K. Wei, X. He, O. Delaire, R. Baumbach, Z. Feng, Y. Fu, Y. Zhang, D. J. Singh, and T. Siegrist. “Orthorhombic to monoclinic phase transition in NbNiTe2.” Physical Review B 100, no. 14 (October 11, 2019). https://doi.org/10.1103/PhysRevB.100.144102.
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  - Li, F., J. Shen, S. R. Parnell, A. N. Thaler, M. Matsuda, T. Keller, O. Delaire, R. Pynna, and J. A. Fernandez-Baca. “High-resolution phonon energy shift measurements with the inelastic neutron spin echo technique.” Journal of Applied Crystallography 52, no. 4 (August 1, 2019): 755–60. https://doi.org/10.1107/S1600576719008008.
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  - Leiner, J. C., H. O. Jeschke, R. Valentí, S. Zhang, A. T. Savici, J. Y. Y. Lin, M. B. Stone, et al. “Frustrated Magnetism in Mott Insulating (V1-xCrx)2 O3.” Physical Review X 9, no. 1 (February 21, 2019). https://doi.org/10.1103/PhysRevX.9.011035.
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  - Niedziela, J. L., D. Bansal, A. F. May, J. Ding, T. Lanigan-Atkins, G. Ehlers, D. L. Abernathy, A. Said, and O. Delaire. “Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe 2.” Nature Physics 15, no. 1 (January 1, 2019): 73–78. https://doi.org/10.1038/s41567-018-0298-2.
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  - Bansal, D., J. L. Niedziela, R. Sinclair, V. O. Garlea, D. L. Abernathy, S. Chi, Y. Ren, H. Zhou, and O. Delaire. “Momentum-resolved observations of the phonon instability driving geometric improper ferroelectricity in yttrium manganite.” Nature Communications 9, no. 1 (December 1, 2018). https://doi.org/10.1038/s41467-017-02309-2.
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  - Wall, Simon, Shan Yang, Luciana Vidas, Matthieu Chollet, James M. Glownia, Michael Kozina, Tetsuo Katayama, et al. “Ultrafast disordering of vanadium dimers in photoexcited VO ₂.” Science 362, no. 6414 (November 2, 2018): 572–76. https://doi.org/10.1126/science.aau3873.
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  - Krauskopf, Thorben, Sokseiha Muy, Sean P. Culver, Saneyuki Ohno, Olivier Delaire, Yang Shao-Horn, and Wolfgang G. Zeier. “Comparing the Descriptors for Investigating the Influence of Lattice Dynamics on Ionic Transport Using the Superionic Conductor Na₃PS_{4- x}Se _x.” Journal of the American Chemical Society 140, no. 43 (October 2018): 14464–73. https://doi.org/10.1021/jacs.8b09340.
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  - Liu, K., S. Lee, S. Yang, O. Delaire, and J. Wu. “Recent progresses on physics and applications of vanadium dioxide.” Materials Today 21, no. 8 (October 1, 2018): 875–96. https://doi.org/10.1016/j.mattod.2018.03.029.
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  - Mao, J., J. L. Niedziela, Y. Wang, Y. Xia, B. Ge, Z. Liu, J. Zhou, et al. “Self-compensation induced vacancies for significant phonon scattering in InSb.” Nano Energy 48 (June 1, 2018): 189–96. https://doi.org/10.1016/j.nanoen.2018.03.058.
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  - Zevalkink, A., D. M. Smiadak, J. L. Blackburn, A. J. Ferguson, M. L. Chabinyc, O. Delaire, J. Wang, et al. “A practical field guide to thermoelectrics: Fundamentals, synthesis, and characterization.” Applied Physics Reviews 5, no. 2 (June 1, 2018). https://doi.org/10.1063/1.5021094.
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  - Muy, S., J. C. Bachman, L. Giordano, H. H. Chang, D. L. Abernathy, D. Bansal, O. Delaire, et al. “Tuning mobility and stability of lithium ion conductors based on lattice dynamics.” Energy and Environmental Science 11, no. 4 (April 1, 2018): 850–59. https://doi.org/10.1039/c7ee03364h.
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  - Luo, C., D. Bansal, J. Li, D. Viehland, B. Winn, Y. Ren, X. Li, H. Luo, and O. Delaire. “Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in (Na,Bi)Ti O3-xBaTi O3 single crystals near the morphotropic phase boundary.” Physical Review B 96, no. 17 (November 10, 2017). https://doi.org/10.1103/PhysRevB.96.174108.
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  - Mukhopadhyay, S., D. Bansal, O. Delaire, D. Perrodin, E. Bourret-Courchesne, D. J. Singh, and L. Lindsay. “The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting.” Physical Review B 96, no. 10 (September 5, 2017). https://doi.org/10.1103/PhysRevB.96.100301.
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  - Berlijn, T., P. C. Snijders, O. Delaire, H. D. Zhou, T. A. Maier, H. B. Cao, S. X. Chi, et al. “Itinerant Antiferromagnetism in RuO2.” Physical Review Letters 118, no. 7 (February 15, 2017). https://doi.org/10.1103/PhysRevLett.118.077201.
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  - Bansal, D., J. L. Niedziela, A. F. May, A. Said, G. Ehlers, D. L. Abernathy, A. Huq, M. Kirkham, H. Zhou, and O. Delaire. “Lattice dynamics and thermal transport in multiferroic CuCrO2.” Physical Review B 95, no. 5 (February 9, 2017). https://doi.org/10.1103/PhysRevB.95.054306.
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  - Lee, Sangwook, Kedar Hippalgaonkar, Fan Yang, Jiawang Hong, Changhyun Ko, Joonki Suh, Kai Liu, et al. “Anomalously low electronic thermal conductivity in metallic vanadium dioxide.” Science (New York, N.Y.) 355, no. 6323 (January 2017): 371–74. https://doi.org/10.1126/science.aag0410.
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  - Bao, Feng, Richard Archibald, Jennifer Niedziela, Dipanshu Bansal, and Olivier Delaire. “Complex optimization for big computational and experimental neutron datasets.” Nanotechnology 27, no. 48 (December 2016): 484002. https://doi.org/10.1088/0957-4484/27/48/484002.
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  - Chen, X., D. Bansal, S. Sullivan, D. L. Abernathy, A. A. Aczel, J. Zhou, O. Delaire, and L. Shi. “Weak coupling of pseudoacoustic phonons and magnon dynamics in the incommensurate spin-ladder compound S r14 C u24 O41.” Physical Review B 94, no. 13 (October 21, 2016). https://doi.org/10.1103/PhysRevB.94.134309.
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  - Bansal, Dipanshu, Amjad Aref, Gary Dargush, and Olivier Delaire. “Modeling non-harmonic behavior of materials from experimental inelastic neutron scattering and thermal expansion measurements.” Journal of Physics. Condensed Matter : An Institute of Physics Journal 28, no. 38 (September 2016): 385201. https://doi.org/10.1088/0953-8984/28/38/385201.
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  - Bansal, D., J. Hong, C. W. Li, A. F. May, W. Porter, M. Y. Hu, D. L. Abernathy, and O. Delaire. “Phonon anharmonicity and negative thermal expansion in SnSe.” Physical Review B 94, no. 5 (August 9, 2016). https://doi.org/10.1103/PhysRevB.94.054307.
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  - Jiang, M. P., M. Trigo, I. Savic, S. Fahy, D. Murray, C. Bray, J. Clark, et al. “The origin of incipient ferroelectricity in lead telluride.” Nature Communications 7 (July 22, 2016). https://doi.org/10.1038/ncomms12291.
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  - Bao, F., R. Archibald, D. Bansal, and O. Delaire. “Hierarchical optimization for neutron scattering problems.” Journal of Computational Physics 315 (June 15, 2016): 39–39. https://doi.org/10.1016/j.jcp.2016.03.017.
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  - Luo, C., Y. Wang, W. Ge, J. Li, D. Viehland, O. Delaire, X. Li, and H. Luo. “Hierarchical domain structure of lead-free piezoelectric (Na1/2 Bi1/2)TiO3-(K1/2 Bi1/2)TiO3 single crystals.” Journal of Applied Physics 119, no. 17 (May 4, 2016). https://doi.org/10.1063/1.4948478.
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  - May, A. F., O. Delaire, J. L. Niedziela, E. Lara-Curzio, M. A. Susner, D. L. Abernathy, M. Kirkham, and M. A. McGuire. “Structural phase transition and phonon instability in Cu12Sb4S13.” Physical Review B 93, no. 6 (February 2016). https://doi.org/10.1103/PhysRevB.93.064104.
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  - Hong, Jiawang, and Olivier Delaire. “Electronic Instability and Anharmonicity in SnSe.” Materials Today Physics 10 (2016): 100093–100093. https://doi.org/10.1016/j.mtphys.2019.100093.
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  - Bansal, D., C. W. Li, A. H. Said, D. L. Abernathy, J. Yan, and O. Delaire. “Electron-phonon coupling and thermal transport in the thermoelectric compound Mo3Sb(7−x)Te(x).” Physical Review B 92, no. 21 (December 2015). https://doi.org/10.1103/PhysRevB.92.214301.
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  - Li, C. W., J. Hong, A. F. May, D. Bansal, S. Chi, T. Hong, G. Ehlers, and O. Delaire. “Orbitally driven giant phonon anharmonicity in SnSe.” Nature Physics 11, no. 12 (December 1, 2015): 1063–69. https://doi.org/10.1038/nphys3492.
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  - Specht, E. D., J. Ma, O. Delaire, J. D. Budai, A. F. May, and E. A. Karapetrova. “Nanoscale Structure in AgSbTe2 Determined by Diffuse Elastic Neutron Scattering.” Journal of Electronic Materials 44, no. 6 (June 1, 2015): 1536–39. https://doi.org/10.1007/s11664-014-3447-0.
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  - Delaire, O., I. I. Al-Qasir, A. F. May, C. W. Li, B. C. Sales, J. L. Niedziela, J. Ma, M. Matsuda, D. L. Abernathy, and T. Berlijn. “Heavy-impurity resonance, hybridization, and phonon spectral functions in Fe(1−x)M(x)Si (M=Ir, Os).” Physical Review B 91, no. 9 (March 2015). https://doi.org/10.1103/PhysRevB.91.094307.
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  - Chen, Xi, Annie Weathers, Jesús Carrete, Saikat Mukhopadhyay, Olivier Delaire, Derek A. Stewart, Natalio Mingo, et al. “Twisting phonons in complex crystals with quasi-one-dimensional substructures.” Nature Communications 6 (January 2015): 6723. https://doi.org/10.1038/ncomms7723.
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  - Jiang, M. P., M. Trigo, S. Fahy, É. D. Murray, I. Savić, C. Bray, J. Clark, et al. “Photoinduced suppression of the ferroelectric instability in PbTe,” 2015.
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  - Li, C. W., J. Ma, H. B. Cao, A. F. May, D. L. Abernathy, G. Ehlers, C. Hoffmann, et al. “Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics.” Physical Review B Condensed Matter and Materials Physics 90, no. 21 (December 29, 2014). https://doi.org/10.1103/PhysRevB.90.214303.
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  - Budai, John D., Jiawang Hong, Michael E. Manley, Eliot D. Specht, Chen W. Li, Jonathan Z. Tischler, Douglas L. Abernathy, et al. “Metallization of vanadium dioxide driven by large phonon entropy.” Nature 515, no. 7528 (November 2014): 535–39. https://doi.org/10.1038/nature13865.
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  - Ma, J., O. Delaire, E. D. Specht, A. F. May, O. Gourdon, J. D. Budai, M. A. McGuire, et al. “Phonon scattering rates and atomic ordering in Ag(1−x)Sb(1+x)Te(2+x) (x=0, 0.1, 0.2) investigated with inelastic neutron scattering and synchrotron diffraction.” Physical Review B 90, no. 13 (October 2014). https://doi.org/10.1103/PhysRevB.90.134303.
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  - Lara-Curzio, E., A. F. May, O. Delaire, M. A. McGuire, X. Lu, C. Y. Liu, E. D. Case, and D. T. Morelli. “Low-temperature heat capacity and localized vibrational modes in natural and synthetic tetrahedrites.” Journal of Applied Physics 115, no. 19 (May 21, 2014). https://doi.org/10.1063/1.4878676.
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  - Li, C. W., O. Hellman, J. Ma, A. F. May, H. B. Cao, X. Chen, A. D. Christianson, et al. “Phonon self-energy and origin of anomalous neutron scattering spectra in SnTe and PbTe thermoelectrics.” Physical Review Letters 112, no. 17 (May 2014): 175501. https://doi.org/10.1103/physrevlett.112.175501.
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  - Carlton, C. E., R. De Armas, J. Ma, A. F. May, O. Delaire, and Y. Shao-Horn. “Natural nanostructure and superlattice nanodomains in AgSbTe2.” Journal of Applied Physics 115, no. 14 (April 14, 2014). https://doi.org/10.1063/1.4870576.
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  - Manley, M. E., J. W. Lynn, D. L. Abernathy, E. D. Specht, O. Delaire, A. R. Bishop, R. Sahul, and J. D. Budai. “Phonon localization drives polar nanoregions in a relaxor ferroelectric.” Nature Communications 5 (January 2014): 3683. https://doi.org/10.1038/ncomms4683.
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  - Shiga, T., T. Murakami, T. Hori, O. Delaire, and J. Shiomi. “Origin of anomalous anharmonic lattice dynamics of lead telluride.” Applied Physics Express 7, no. 4 (January 1, 2014). https://doi.org/10.7567/APEX.7.041801.
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  - Pramanick, A., S. O. Diallo, O. Delaire, S. Calder, A. D. Christianson, X. L. Wang, and J. A. Fernandez-Baca. “Origins of large enhancement in electromechanical coupling for nonpolar directions in ferroelectric BaTiO3.” Physical Review B Condensed Matter and Materials Physics 88, no. 18 (November 15, 2013). https://doi.org/10.1103/PhysRevB.88.180101.
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  - Ma, J., O. Delaire, A. F. May, C. E. Carlton, M. A. McGuire, L. H. VanBebber, D. L. Abernathy, et al. “Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2.” Nature Nanotechnology 8, no. 6 (June 2013): 445–51. https://doi.org/10.1038/nnano.2013.95.
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  - Delaire, O., I. I. Al-Qasir, J. Ma, A. M. Dos Santos, B. C. Sales, L. Mauger, M. B. Stone, D. L. Abernathy, Y. Xiao, and M. Somayazulu. “Effects of temperature and pressure on phonons in FeSi1-xAl x.” Physical Review B Condensed Matter and Materials Physics 87, no. 18 (May 31, 2013). https://doi.org/10.1103/PhysRevB.87.184304.
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  - Delaire, Olivier A., and C. Stassis. “Phonon Studies,” October 12, 2012. https://doi.org/10.1002/0471266965.com100.pub2.
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  - Shiga, T., J. Shiomi, J. Ma, O. Delaire, T. Radzynski, A. Lusakowski, K. Esfarjani, and G. Chen. “Microscopic mechanism of low thermal conductivity in lead telluride.” Physical Review B Condensed Matter and Materials Physics 85, no. 15 (April 10, 2012). https://doi.org/10.1103/PhysRevB.85.155203.
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  - Delaire, O., M. B. Stone, J. Ma, A. Huq, D. Gout, C. Brown, K. F. Wang, and Z. F. Ren. “Anharmonic phonons and magnons in BiFeO 3.” Physical Review B Condensed Matter and Materials Physics 85, no. 6 (February 13, 2012). https://doi.org/10.1103/PhysRevB.85.064405.
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  - May, A. F., M. A. McGuire, J. Ma, O. Delaire, A. Huq, and R. Custelcean. “Properties of single crystalline AZn 2Sb 2 (A Ca,Eu,Yb).” Journal of Applied Physics 111, no. 3 (February 1, 2012). https://doi.org/10.1063/1.3681817.
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  - May, A. F., M. A. McGuire, D. J. Singh, J. Ma, O. Delaire, A. Huq, W. Cai, and H. Wang. “Thermoelectric transport properties of CaMg 2Bi 2, EuMg 2Bi 2, and YbMg 2Bi 2.” Physical Review B Condensed Matter and Materials Physics 85, no. 3 (January 11, 2012). https://doi.org/10.1103/PhysRevB.85.035202.
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  - Abernathy, D. L., M. B. Stone, M. J. Loguillo, M. S. Lucas, O. Delaire, X. Tang, J. Y. Y. Lin, and B. Fultz. “Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source.” The Review of Scientific Instruments 83, no. 1 (January 2012): 015114. https://doi.org/10.1063/1.3680104.
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  - Muñoz, J. A., M. S. Lucas, O. Delaire, M. L. Winterrose, L. Mauger, Chen W. Li, A. O. Sheets, et al. “Positive vibrational entropy of chemical ordering in FeV.” Physical Review Letters 107, no. 11 (September 2011): 115501. https://doi.org/10.1103/physrevlett.107.115501.
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  - Delaire, O., J. Ma, K. Marty, A. F. May, M. A. McGuire, M. -. H. Du, D. J. Singh, et al. “Giant anharmonic phonon scattering in PbTe.” Nature Materials 10, no. 8 (June 2011): 614–19. https://doi.org/10.1038/nmat3035.
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  - Markovskiy, N. D., J. A. Muñoz, M. S. Lucas, C. W. Li, O. Delaire, M. B. Stone, D. L. Abernathy, and B. Fultz. “Nonharmonic phonons in MgB2 at elevated temperatures.” Physical Review B 83, no. 17 (May 2011). https://doi.org/10.1103/PhysRevB.83.174301.
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  - Sales, B. C., O. Delaire, M. A. McGuire, and A. F. May. “Thermoelectric properties of Co-, Ir-, and Os-doped FeSi alloys: Evidence for strong electron-phonon coupling.” Physical Review B Condensed Matter and Materials Physics 83, no. 12 (March 28, 2011). https://doi.org/10.1103/PhysRevB.83.125209.
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  - Delaire, O., K. Marty, M. B. Stone, P. R. C. Kent, M. S. Lucas, D. L. Abernathy, D. Mandrus, and B. C. Sales. “Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder.” Proceedings of the National Academy of Sciences of the United States of America 108, no. 12 (March 22, 2011): 4725–30. https://doi.org/10.1073/pnas.1014869108.
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  - Lucas, M. S., J. A. Muñoz, O. Delaire, N. D. Markovskiy, M. B. Stone, D. L. Abernathy, I. Halevy, et al. “Effects of composition, temperature, and magnetism on phonons in bcc Fe-V alloys.” Physical Review B Condensed Matter and Materials Physics 82, no. 14 (October 22, 2010). https://doi.org/10.1103/PhysRevB.82.144306.
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  - Lucas, M. S., J. A. Muñoz, L. Mauger, C. W. Li, A. O. Sheets, Z. Turgut, J. Horwath, et al. “Erratum: Effects of chemical composition and B2 order on phonons in bcc Fe-Co alloys (Journal of Applied Physics (2010) 108 (023519)).” Journal of Applied Physics 108, no. 7 (October 1, 2010). https://doi.org/10.1063/1.3484430.
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  - Lucas, M. S., J. A. Munz, L. Mauger, C. W. Li, A. O. Sheets, Z. Turgut, J. Horwath, et al. “Effects of chemical composition and B2 order on phonons in bcc Fe-Co alloys.” Journal of Applied Physics 108, no. 2 (July 15, 2010). https://doi.org/10.1063/1.3456500.
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  - Delaire, O. “Studies of high-temperature electron-phonon interactions with inelastic neutron scattering and first-principles computations.” Applied Physics A: Materials Science and Processing 99, no. 3 (June 1, 2010): 523–29. https://doi.org/10.1007/s00339-010-5618-z.
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  - Delaire, O., M. S. Lucas, A. M. Dos Santos, A. Subedi, A. S. Sefat, M. A. McGuire, L. Mauger, et al. “Temperature and pressure dependence of the Fe-specific phonon density of states in Ba ( Fe1-x Cox)2As2.” Physical Review B Condensed Matter and Materials Physics 81, no. 9 (March 4, 2010). https://doi.org/10.1103/PhysRevB.81.094504.
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  - Lucas, M. S., O. Delaire, M. L. Winterrose, T. Swan-Wood, M. Kresch, I. Halevy, B. Fultz, et al. “Effects of vacancies on phonon entropy of B2 FeAl.” Physical Review B Condensed Matter and Materials Physics 80, no. 21 (December 21, 2009). https://doi.org/10.1103/PhysRevB.80.214303.
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  - Delaire, O., A. F. May, M. A. McGuire, W. D. Porter, M. S. Lucas, M. B. Stone, D. L. Abernathy, V. A. Ravi, S. A. Firdosy, and G. J. Snyder. “Phonon density of states and heat capacity of La(3−x)Te4.” Physical Review B 80, no. 18 (November 2009). https://doi.org/10.1103/PhysRevB.80.184302.
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  - Christianson, A. D., M. D. Lumsden, O. Delaire, M. B. Stone, D. L. Abernathy, M. A. McGuire, A. S. Sefat, et al. “Phonon density of states of LaFeAsO(1-x)Fx.” Physical Review Letters 101, no. 15 (October 2008): 157004. https://doi.org/10.1103/physrevlett.101.157004.
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  - Delaire, O., M. S. Lucas, J. A. Muñoz, M. Kresch, and B. Fultz. “Adiabatic electron-phonon interaction and high-temperature thermodynamics of A15 compounds.” Physical Review Letters 101, no. 10 (September 2008): 105504. https://doi.org/10.1103/physrevlett.101.105504.
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  - Delaire, O., M. Kresch, J. A. Muñoz, M. S. Lucas, J. Y. Y. Lin, and B. Fultz. “Electron-phonon interactions and high-temperature thermodynamics of vanadium and its alloys.” Physical Review B Condensed Matter and Materials Physics 77, no. 21 (June 25, 2008). https://doi.org/10.1103/PhysRevB.77.214112.
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  - Kresch, M., M. Lucas, O. Delaire, J. Y. Y. Lin, and B. Fultz. “Phonons in aluminum at high temperatures studied by inelastic neutron scattering.” Physical Review B Condensed Matter and Materials Physics 77, no. 2 (January 3, 2008). https://doi.org/10.1103/PhysRevB.77.024301.
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  - Kresch, M., O. Delaire, R. Stevens, J. Y. Y. Lin, and B. Fultz. “Neutron scattering measurements of phonons in nickel at elevated temperatures.” Physical Review B Condensed Matter and Materials Physics 75, no. 10 (March 9, 2007). https://doi.org/10.1103/PhysRevB.75.104301.
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  - Delaire, O., and B. Fultz. “Charge redistribution and phonon entropy of vanadium alloys.” Physical Review Letters 97, no. 24 (December 2006): 245701. https://doi.org/10.1103/physrevlett.97.245701.
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  - Delaire, O., M. Kresch, and B. Fultz. “Vibrational entropy of the γ- Martensitic transformation in Fe 71Ni29.” Philosophical Magazine 85, no. 30 (October 21, 2005): 3567–83. https://doi.org/10.1080/14786430500228606.
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  - Swan-Wood, T. L., O. Delaire, and B. Fultz. “Vibrational entropy of spinodal decomposition in FeCr.” Physical Review B Condensed Matter and Materials Physics 72, no. 2 (July 1, 2005). https://doi.org/10.1103/PhysRevB.72.024305.
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  - Yue, A. F., A. B. Papandrew, O. Delaire, B. Fultz, Z. Chowdhuri, R. M. Dimeo, and D. A. Neumann. “Vibrations of micro-eV energies in nanocrystalline microstructures.” Physical Review Letters 93, no. 20 (November 2004): 205501. https://doi.org/10.1103/physrevlett.93.205501.
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  - Delaire, O., T. Swan-Wood, and B. Fultz. “Negative entropy of mixing for vanadium-platinum solutions.” Physical Review Letters 93, no. 18 (October 2004): 185704. https://doi.org/10.1103/physrevlett.93.185704.
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  - Yilmazbayhan, A., O. Delaire, A. T. Motta, R. C. Birtcher, J. M. Maser, and B. Lai. “Determination of the alloying content in the matrix of Zr alloys using synchrotron radiation microprobe X-ray fluorescence.” Journal of Nuclear Materials 321, no. 2–3 (September 15, 2003): 221–32. https://doi.org/10.1016/S0022-3115(03)00267-8.
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  - Manley, M. E., R. J. McQueeney, B. Fultz, T. Swan-Wood, O. Delaire, E. A. Goremychkin, J. C. Cooley, et al. “No role for phonon entropy in the fcc-fcc volume collapse transition in Ce0.9Th0.1 at ambient pressure.” Physical Review B 67, no. 1 (January 2003). https://doi.org/10.1103/PhysRevB.67.014103.
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  - Erwin, K. T., O. Delaire, A. T. Motta, Y. S. Chu, D. C. Mancini, and R. C. Birtcher. “Observation of second-phase particles in bulk zirconium alloys using synchrotron radiation.” Journal of Nuclear Materials 294, no. 3 (April 1, 2001): 299–304. https://doi.org/10.1016/S0022-3115(01)00436-6.
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- Reports
  - Delaire, Olivier. “Final Technical Report - DE-SC0019299, Tuning anisotropic bonding via chemistry and pressure in layered pnictides and chalcogenides.” Office of Scientific and Technical Information (OSTI), November 11, 2022. https://doi.org/10.2172/1897733.
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  - Delaire, Olivier. “Quasiparticle Couplings in Transport of Heat, Charge, and Spin for Novel Energy Materials. Final report.” Office of Scientific and Technical Information (OSTI), January 26, 2020. https://doi.org/10.2172/1594952.
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- Conference Papers
  - Muy, Sokseiha, John Bachman, Livia Giordano, Douglas Abernathy, Dipanshu Bansal, Olivier Delaire, Ryoji Kanno, Filippo Maglia, Saskia Lupart, and Yang Shao-Horn. “Mobility and stability descriptors of lithium ion conductors based on lattice dynamics.” In Abstracts of Papers of the American Chemical Society, Vol. 255. AMER CHEMICAL SOC, 2018.
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  - Borreguero, J. M., S. I. Campbell, O. A. Delaire, M. Doucet, M. Goswami, M. E. Hagen, V. E. Lynch, et al. “Integrating advanced materials simulation techniques into an automated data analysis workflow at the spallation neutron source.” In Tms Annual Meeting, 297–308, 2014. https://doi.org/10.1002/9781118889879.ch39.
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  - Delaire, O., M. Kresch, and B. Fultz. “Entropy of the γ- α martensitic transformation in Fe 71Ni29.” In Proceedings of an International Conference on Solid Solid Phase Transformations in Inorganic Materials 2005, 2:75–80, 2005.
  - Delaire, O., T. Swan-Wood, and B. Fultz. “Vibrational thermodynamics of vanadium and dilute vanadium alloys.” In Proceedings of an International Conference on Solid Solid Phase Transformations in Inorganic Materials 2005, 2:359–74, 2005.
  - Delaire, Olivier, Max Kresch, and Brent Miltz. “Entropy of the gamma-alpha martensitic transformation in Fe71Ni29.” In Solid Solid Phase Transformations in Inorganic Material 2005, Vol 2, edited by J. M. Howe, D. E. Laughlin, J. K. Lee, U. Dahmen, and W. A. Soffa, 75–80. MINERALS, METALS & MATERIALS SOC, 2005.
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  - Manley, M. E., R. J. McQueeney, B. Fultz, T. Swan-Wood, O. Delaire, E. A. Goremychkin, J. C. Cooley, et al. “The importance of high temperature electron-phonon coupling to the thermodynamic properties of Ce0.9Th0.1 and other f-electron bonded metals.” In Actinides Basic Science, Applications and Technology, edited by L. Soderholm, J. J. Joyce, M. F. Nicol, D. K. Shuh, and J. G. Tobin, 802:47–52. MATERIALS RESEARCH SOCIETY, 2004.
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  - Motta, A. T., K. T. Erwin, O. Delaire, R. C. Birtcher, Y. Chu, J. Maser, D. C. Mancini, and B. Lai. “Synchrotron radiation study of secondphase particles and alloying elements in zirconium alloys.” In Astm Special Technical Publication, 59–77, 2002. https://doi.org/10.1520/stp11383s.
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- Preprints
  - Kumar, Sajan, M. K. Gupta, Prabhatasree Goel, R. Mittal, Olivier Delaire, A. Thamizhavel, S. Rols, and S. L. Chaplot. “Solid-like to Liquid-like Behavior of Cu Diffusion in Superionic Cu2X (X=S, Se): An Inelastic Neutron Scattering and Ab-Initio Molecular Dynamics Investigation,” January 3, 2022.
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  - He, Xing, Matthew Krogstad, Mayanak K. Gupta, Tyson Lanigan-Atkins, Chengjie Mao, Feng Ye, Yaohua Liu, et al. “Multiple lattice instabilities and complex ground state in Cs$_2$AgBiBr$_6$,” December 9, 2021.
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  - Jiang, M. P., M. Trigo, S. Fahy, A. Hauber, É. D. Murray, I. Savić, C. Bray, et al. “Photo-induced plasmon-phonon coupling in PbTe,” September 3, 2021.
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  - Huang, Yijing, Shan Yang, Samuel Teitelbaum, Gilberto De la Pena, Takahiro Sato, Matthieu Chollet, Diling Zhu, et al. “Observation of a Novel Lattice Instability in Ultrafast Photoexcited SnSe,” June 14, 2021.
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Teaching & Mentoring
Recent Courses
Advising & Mentoring
- Current and former postdoctoral trainees:
  - Jie Ma (2010-2012) now Assistant Professor at Shanghai Jiao-Tong University
  - Iyad Al-Qasir (2012-2013) now assistant prof. at University of Sharjah U.A.E.
  - Chen W Li (2012-2015) http://www.chenwli.com
  - Jiawang Hong (2013 - ) http://web.ornl.gov/~ho8/
  - Dipanshu Bansal (2015 - )
  - Jennifer Niedziela (2015 - )
  Graduate Students supervised:
  - Chengtao Luo (Virginia Tech, 2014-present), lead-free ferroelectrics (NBT-BT)
  - Dipanshu Bansal (SUNY Buffalo, 2014-2015), phonon thermodynamics and transport
  Undergraduate Students supervised:
  - Louis Varriano (University of Tennessee-Knoxville Physics undergraduate student and Haslam Scholar). HERE research program at ORNL, summer 2014.
  - Jorge Muñoz, Simpson Zhang (Caltech SURF, undergraduate summer students)
Available to mentor:
- Masters
- PhD
- Post-Doc
- Undergraduate

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