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IEE Research Themes
Affiliate Researcher
Titles and Affiliations
Distinguished Professor, Physics
Research Summary
Our research is best described as materials theory, broadly defined. We use a variety of techniques chosen to suit the problem at hand, ranging from first-principles density functional theory to dynamical mean field theory, empirical interatomic potentials, photonic bandstructures or effective continuum theories such as Landau-Ginzburg.In the News
Research Keywords
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Recent Publications
Order evolution from a high-entropy matrix: Understanding and predicting paths to low-temperature equilibrium
Almishal, S. S. I., Miao, L., Tan, Y., Kotsonis, G. N., Sivak, J. T., Alem, N., Chen, L. Q., Crespi, V. H., Dabo, I., Rost, C. M., Sinnott, S. B. & Maria, J. P., Feb 2025, In: Journal of the American Ceramic Society. 108, 2, e20223.Research output: Contribution to journal › Article › peer-review
Untangling individual cation roles in rock salt high-entropy oxides
Almishal, S. S. I., Sivak, J. T., Kotsonis, G. N., Tan, Y., Furst, M., Srikanth, D., Crespi, V. H., Gopalan, V., Heron, J. T., Chen, L. Q., Rost, C. M., Sinnott, S. B. & Maria, J. P., Oct 15 2024, In: Acta Materialia. 279, 120289.Research output: Contribution to journal › Article › peer-review
A Chemical Mechanism for the Bistable-to-Oscillatory Transition in Colloidal Aggregates of Silver Phosphate
Sánchez-Farrán, M. A., Borhan, A., Sen, A. & Crespi, V. H., Sep 2024, In: ChemSystemsChem. 6, 5, e202400024.Research output: Contribution to journal › Article › peer-review
Effects of Vanadium Doping on the Optical Response and Electronic Structure of WS2 Monolayers
Sousa, F. B., Zheng, B., Liu, M., Resende, G. C., Zhou, D., Pimenta, M. A., Terrones, M., Crespi, V. H. & Malard, L. M., Jul 5 2024, In: Advanced Optical Materials. 12, 19, 2400235.Research output: Contribution to journal › Article › peer-review
Large-Area Intercalated Two-Dimensional Pb/Graphene Heterostructure as a Platform for Generating Spin-Orbit Torque
Vera, A., Zheng, B., Yanez, W., Yang, K., Kim, S. Y., Wang, X., Kotsakidis, J. C., El-Sherif, H., Krishnan, G., Koch, R. J., Bowen, T. A., Dong, C., Wang, Y., Wetherington, M., Rotenberg, E., Bassim, N., Friedman, A. L., Wallace, R. M., Liu, C. & Samarth, N. & 2 others, , Aug 20 2024, In: ACS nano. 18, 33, p. 21985-21997 13 p.Research output: Contribution to journal › Article › peer-review
Prediction of a Novel Electromechanical Response in Polar Polymers with Rigid Backbones: Contrasting Furan-Derived Nanothreads to Poly(Vinylidene Fluoride)
Wang, T., Gao, Y., Chen, B., Crespi, V. H. & van Duin, A. C. T., Jul 31 2024, In: Nano letters. 24, 30, p. 9195-9201 7 p.Research output: Contribution to journal › Article › peer-review
Emergence of inertia in the low-Reynolds regime of self-diffusiophoretic motion
Zero, E. N. & Crespi, V. H., May 2024, In: Physical Review E. 109, 5, 054602.Research output: Contribution to journal › Article › peer-review
Strain-Induced 2H to 1T′ Phase Transition in Suspended MoTe2 Using Electric Double Layer Gating
Awate, S. S., Xu, K., Liang, J., Katz, B., Muzzio, R., Crespi, V. H., Katoch, J. & Fullerton-Shirey, S. K., Nov 28 2023, In: ACS nano. 17, 22, p. 22388-22398 11 p.Research output: Contribution to journal › Article › peer-review
High-entropy oxides: Harnessing crystalline disorder for emergent functionality
Kotsonis, G. N., Almishal, S. S. I., Marques dos Santos Vieira, F., Crespi, V. H., Dabo, I., Rost, C. M. & Maria, J. P., Oct 2023, In: Journal of the American Ceramic Society. 106, 10, p. 5587-5611 25 p.Research output: Contribution to journal › Article › peer-review
Classical triangular lattice antiferromagnetic Ising model as a free-fermion/superconductor system
Nourhani, A., Crespi, V. H. & Lammert, P. E., May 19 2023, In: Journal of Physics A: Mathematical and Theoretical. 56, 20, 205001.Research output: Contribution to journal › Article › peer-review
Three-dimensional topological magnetic monopoles and their interactions in a ferromagnetic meta-lattice
Rana, A., Liao, C. T., Iacocca, E., Zou, J., Pham, M., Lu, X., Subramanian, E. E. C., Lo, Y. H., Ryan, S. A., Bevis, C. S., Karl, R. M., Glaid, A. J., Rable, J., Mahale, P., Hirst, J., Ostler, T., Liu, W., O’Leary, C. M., Yu, Y. S. & Bustillo, K. & 11 others, , Mar 2023, In: Nature nanotechnology. 18, 3, p. 227-232 6 p.Research output: Contribution to journal › Article › peer-review
Step engineering for nucleation and domain orientation control in WSe2 epitaxy on c-plane sapphire
Zhu, H., Nayir, N., Choudhury, T. H., Bansal, A., Huet, B., Zhang, K., Puretzky, A. A., Bachu, S., York, K., Mc Knight, T. V., Trainor, N., Oberoi, A., Wang, K., Das, S., Makin, R. A., Durbin, S. M., Huang, S., Alem, N., Crespi, V. H. & van Duin, A. C. T. & 1 others, , Nov 2023, In: Nature nanotechnology. 18, 11, p. 1295-1302 8 p.Research output: Contribution to journal › Article › peer-review
Theoretical Studies of Furan and Thiophene Nanothreads: Structures, Cycloaddition Barriers, and Activation Volumes
Chen, B., Crespi, V. H. & Hoffmann, R., May 25 2022, In: Journal of the American Chemical Society. 144, 20, p. 9044-9056 13 p.Research output: Contribution to journal › Article › peer-review
Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals
Gerthoffer, M. C., Xu, B., Wu, S., Cox, J., Huss, S., Oburn, S. M., Lopez, S. A., Crespi, V. H., Badding, J. V. & Elacqua, E., Feb 3 2022, In: Polymer Chemistry. 13, 10, p. 1359-1368 10 p.Research output: Contribution to journal › Article › peer-review
Shape Entropy of a Reconfigurable Ising Surface
Katz, B. N., Krainov, L. & Crespi, V., Aug 26 2022, In: Physical review letters. 129, 9, 096102.Research output: Contribution to journal › Article › peer-review