Publications

Lomeli, E. G., Ransom, B., Ramdas, A., Jost, D., Moritz, B., Sendek, A. D., Reed, E. J., & Devereaux, T. P. (2024). Predicting Reactivity and Passivation of Solid-State Battery Interfaces. ACS Applied Materials & Interfaces, 16, 51584–51594. https://doi.org/10.1021/acsami.4c06095

Tang, T., Park, S., Devereaux, T. P., Lin, Y., & Jia, C. (2024). Molecular geometry specific Monte Carlo simulation of the efficacy of diamond crystal formation from diamondoids. Communications Chemistry, 7, 194. https://doi.org/10.1038/s42004-024-01261-9

Tzeng, Y.-K., Ke, F., Jia, C., Liu, Y., Park, S., Han, M., Frost, M., Cai, X., Mao, W. L., Ewing, R. C., Cui, Y., Devereaux, T. P., Lin, Y., & Chu, S. (2024). Improving the creation of SiV centers in diamond via sub-μs pulsed annealing treatment. Nature Communications, 15, 7251. https://doi.org/10.1038/s41467-024-51523-2

Mercadier, L., Benediktovitch, A., Krusic, S., Kas, J. J., Schlappa, J., Agaker, M., Carley, R., Fazio, G., Gerasimova, N., Kim, Y. Y., Le Guyader, L., Mercurio, G., Parchenko, S., Rehr, J. J., Rubensson, J.-E., Serkez, S., Stransky, M., Teichmann, M., Yin, Z., Zitnik, M., Scherz, A., Ziaja, B., & Rohringer, N. (2024). Transient absorption of warm dense matter created by an X-ray free-electron laser. Nat. Phys., 20, 1564–1569. https://doi.org/10.1038/s41567-024-02587-w

Liu, F., Peng, C., Huang, E. W., Moritz, B., Jia, C., & Devereaux, T. P. (2024). Emergence of Antiferromagnetic Correlations and Kondolike Features in a Model for Infinite-Layer Nickelates. npj Quantum Materials, 9, 49. https://doi.org/10.1038/s41535-024-00659-x

Sie, E., Othman, M. K., Nyby, C., Pemmaraju, C. D., Garcia, C. C., Wang, Y., Guzelturk, B., Xia, C., Xiao, J., Poletayev, A., Ofori-Okai, B. K., Hoffmann, M., Park, S., Shen, X., Yang, J., Li, R., Reid, A. H., Weathersby, S., Muscher, P., Finney, N., Rhodes, D., Balicas, L., Nanni, E., Hone, J., Chueh, W., Devereaux, T. P., Narang, P., Heinz, T., Wang, X., & Lindenberg, A. (2024). Giant Terahertz Birefringence in an Ultrathin Anisotropic Semimetal. Nano. Lett., 24, 6031. https://doi.org/10.1021/acs.nanolett.4c00758

Rehr, J. J., & Kas, J. J. (2024). Real-space multiple-scattering approach to the van der Waals interaction. Electron. Struct., 6, 017002. https://doi.org/10.1088/2516-1075/ad3591

Han, M., Peng, C., Song, R., Ke, F., Nashed, Y. S. G., Mao, W. L., Jia, C., & Lin, Y. (2024). Machine learning-empowered study of metastable γ-CsPbI3 under pressure and strain. J. Mater. Chem. A, 12, 11082-11089. https://doi.org/10.1039/D4TA00174E

Peng, Y. Y., Boukahil, I., Krongchon, K., Xiao, Q., Husain, A. A., Lee, S., Li, Q. Z., Alatas, A., Said, A. H., Yan, H. T., Ding, Y., Zhao, L., Zhou, X. J., Devereaux, T. P., Wagner, L. K., Pemmaraju, C. D., & Abbamonte, P. (2024). Observation of van der Waals phonons in the single-layer cuprate (Bi,Pb)2(Sr,La)2CuO6+δ. Phys. Rev. Materials, 8, 024804 . https://doi.org/10.1103/PhysRevMaterials.8.024804

Richardson, J. A., Kim, H., Kas, J. J., You, X., Andersen, A., Ginovska, B., Bhattacharjee, A., & Sarangi, R. (2024). X-ray absorption spectroscopy and theoretical investigations of the effect of extended ligands in potassium organic matter interaction. J. Chem. Phys., 28, 044114. https://doi.org/10.1063/5.0183603

Cardot, C. A., Kas, J. J., Abramson, J. E., Rehr, J. J., & Seidler, G. T. (2024). Core-to-core X-ray emission spectra from Wannier based multiplet ligand field theory. J. Electron Spectros. Relat. Phenomena, 270, 147419. https://doi.org/10.1016/j.elspec.2024.147419

Peng, C., Jiang, H.-C., Moritz, B., Devereaux, T. P., & Jia, C. (2023). Charge order and superconductivity in a two-band model for infinite-layer nickelates. Phys. Rev. B, 108, 245115. https://doi.org/10.1103/PhysRevB.108.245115

Jiang, H.-C., & Devereaux, T. P. (2023). Pair density wave and superconductivity in a kinetically frustrated doped Emery model on a square lattice. Front. Electron. Mater., 3, 1323404 . https://doi.org/10.3389/femat.2023.1323404

Scheie, A., Ghioldi, E. A., Xing, J., Paddison, J. A. M., Sherman, N. E., Dupont, M., Abernathy, D., Pajerowski, D., Zhang, S.-S., Manuel, L. O., Trumper, A. E., Pemmaraju, C. D., Parker, D. S., Devereaux, T. P., Moore, J., Batista, C. D., & Tennant, D. A. (2023). Proximate spin liquid and fractionalization in the triangular antiferromagnet KYbSe2. Nature Physics, 20, 74–81. https://doi.org/10.1038/s41567-023-02259-1

Zhong, Y., Peng, C., Huang, H., Guan, D., Hwang, J., Hsu, S., Hu, Y., Jia, C., Moritz, B., Lu, D., Lee, J.-S., Jia, J.-F., Devereaux, T. P., Mo, S.-K., & Shen, Z.-X. (2023). From Stoner to Local Moment Magnetism in Atomically Thin Cr2Te3. Nat. Comm., 14, 5340. https://doi.org/10.1038/s41467-023-40997-1

Chan, Y.-H., Jiang, H.-C., & Chen, Y.-C. (2023). Plaquette valence bond state in spin-1/2 J1-J2 XY model on square lattice. Phys. Rev. B, 107, 214402. https://doi.org/10.1103/PhysRevB.107.214402

Tang, T., Moritz, B., Peng, C., Shen, Z.-X., & Devereaux, T. P. (2023). Traces of Electron-Phonon Coupling in One-Dimensional Cuprates. Nature Communications, 14, 3129. https://doi.org/10.1038/s41467-023-38408-6

Wang, B. Y., Wang, T. C., Hsu, Y.-T., Osada, M., Lee, K., Jia, C., Duffy, C., Li, D., Fowlie, J., Beasley, M. R., Devereaux, T. P., Fisher, I. R., Hussey, N. E., & Hwang, H. Y. (2023). Rare-Earth Control of the Superconducting Upper Critical Field in Infinite-Layer Nickelates. Sci. Adv., 9, eadf6655. https://doi.org/10.1126/sciadv.adf6655

Peng, C., Wang, Y., Wen, J., Lee, Y. S., Devereaux, T. P., & Jiang, H.-C. (2023). Enhanced superconductivity by near-neighbor attraction in the doped Hubbard model. Phys. Rev.B, 107, L201102. https://doi.org/10.1103/PhysRevB.107.L201102

Tan, T. S., Kas, J. J., Trickey, S. B., & Rehr, J. J. (2023). High-temperature self-energy corrections to x-ray absorption spectra. Phys. Rev. B, 107, 115122 . https://doi.org/10.1103/PhysRevB.107.115122