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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
Chemically-Disordered Transparent Conductive Perovskites With High Crystalline Fidelity
Almishal, S. S. I., Kezer, P., Sivak, J. T., Iwabuchi, Y., Ayyagari, S. V. G., Sarker, S., Furst, M., Bejger, G., Yang, B., Gelin, S., Alem, N., Dabo, I., Rost, C. M., Sinnott, S. B., Crespi, V., Gopalan, V., Engel-Herbert, R., Heron, J. T. & Maria, J. P., Nov 13 2025, In: Advanced Science. 12, 42, e09868.Research output: Contribution to journal › Article › peer-review
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
Discovery of a layered multiferroic compound Cu1−xMn1+ySiTe3 with strong magnetoelectric coupling
De, C., Liu, Y., Ayyagari, S. V. G., Zheng, B., Kelley, K. P., Hazra, S., He, J., Pawledzio, S., Mali, S., Guchhait, S., Yoshida, S., Guan, Y., Lee, S. H., Sretenovic, M., Ke, X., Wang, L., Engelhard, M. H., Du, Y., Xie, W. & Wang, X. & 5 others, , Jan 3 2025, In: Science Advances. 11, 1, eadp9379.Research output: Contribution to journal › Article › peer-review
Healing of a topological scar: Coordination defects in a honeycomb lattice
Katz, B. N. & Crespi, V., May 5 2025, In: Carbon. 238, 120193.Research output: Contribution to journal › Article › peer-review
Cyclobutane-linked nanothreads through thermal and photochemically mediated polymerization of cyclohexadiene
Murphy, M., Xu, B., Rank, K. E., Wu, S., Huss, S., Badding, J. V., Lopez, S. A., Crespi, V. H. & Elacqua, E., May 22 2025, In: Polymer Chemistry. 16, 25, p. 2943-2951 9 p.Research output: Contribution to journal › Article › peer-review
2D Indium Oxide at the Epitaxial Graphene/SIC Interface: Synthesis, Structure, Properties, and Devices
Turker, F., Xu, B., Dong, C., Labella, M., Nayir, N., Sheremetyeva, N., Trdinich, Z. J., Zhang, D., Adabasi, G., Pourbahari, B., Lu, L. S., Auker, W. E., Wang, K., Baykara, M., Meunier, V., Bassim, N., van Duin, A. C. T., Crespi, V. H. & Robinson, J. A., 2025, (Accepted/In press) In: Advanced Materials.Research output: Contribution to journal › Article › peer-review
New ReaxFF Reactive Force Field Optimized for Vibrational and Thermal Properties of Molybdenum Disulfide
Wang, T., Marmolejo-Tejada, J. M., Mosquera, M. A., Crespi, V. H. & van Duin, A. C. T., May 8 2025, In: Journal of Physical Chemistry Letters. 16, 18, p. 4529-4535 7 p.Research output: Contribution to journal › Article › peer-review
Tunable phononic quantum interference induced by two-dimensional metals
Zhang, K., Maniyara, R. A., Wang, Y., Jain, A., Wetherington, M. T., Mai, T. T., Dong, C., Bowen, T., Wang, K., Rotkin, S. V., Hight Walker, A. R., Crespi, V. H., Robinson, J. & Huang, S., Aug 2025, In: Science Advances. 11, 32, eadw1800.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