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Publications

Found 40 results
Filters: Author is Zhao, X.  [Clear All Filters]
2018
X. Zhao, Liu, J., Yao, Y. X., Wang, C. Z., and Ho, K. M., Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen, Physical Review B, vol. 97, p. 075142, 2018.
X. B. Lv, Zhao, X., Wu, S. Q., Nguyen, M. C., Zhu, Z. Z., Lin, Z. J., Wang, C. Z., and Ho, K. M., Fe-Si networks and charge/discharge-induced phase transitions in Li2FeSiO4 cathode materials, Physical Chemistry Chemical Physics, vol. 20, pp. 14557-14563, 2018.
M. Sakurai, Zhao, X., Wang, C. Z., Ho, K. M., and Chelikowsky, J. R., Influence of nitrogen dopants on the magnetization of Co3N clusters, Physical Review Materials, vol. 2, p. 024401, 2018.
B. Balasubramanian, Zhao, X., Valloppilly, S. R., Beniwal, S., Skomski, R., Sarella, A., Jin, Y. L., Li, X. Z., Xu, X. S., Cao, H. B., Wang, H. H., Enders, A., Wang, C. Z., Ho, K. M., and Sellmyer, D. J., Magnetism of new metastable cobalt-nitride compounds, Nanoscale, vol. 10, pp. 13011-13021, 2018.
M. Sakurai, Wu, S. Q., Zhao, X., Nguyen, M. C., Wang, C. Z., Ho, K. M., and Chelikowsky, J. R., Magnetocrystalline anisotropy in YCo5 and ZrCo5 compounds from first-principles real-space pseudopotentials calculations, Physical Review Materials, vol. 2, p. 084410, 2018.
S. Yu, Zhao, X., Wu, S. Q., Nguyen, M. C., Zhu, Z. Z., Wang, C. Z., and Ho, K. M., New structures of Fe3S for rare-earth-free permanent magnets, Journal of Physics D-Applied Physics, vol. 51, p. 075001, 2018.
M. C. Nguyen, Chen, C., Zhao, X., Liu, J., Wang, C. Z., and Ho, K. M., Prediction of novel stable Fe-V-Si ternary phase, Journal of Alloys and Compounds, vol. 732, pp. 567-572, 2018.
L. Yang, Zhang, F., Meng, F. Q., Zhou, L., Sun, Y., Zhao, X., Ye, Z., Kramer, M. J., Wang, C. Z., and Ho, K. M., Spatially-correlated site occupancy in the nonstoichiometric meta-stable epsilon-Al60Sm11 phase during devitrification of Al-10.2 at.% Sm glasses, Acta Materialia, vol. 156, pp. 97-103, 2018.
Z. J. Yang, Wu, S. Q., Zhao, X., Nguyen, M. C., Yu, S., Wen, T. Q., Tang, L., Li, F. X., Ho, K. M., and Wang, C. Z., Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations, Journal of Applied Physics, vol. 124, p. 073901, 2018.
X. Gui, Zhao, X., Sobczak, Z., Wang, C. Z., Klimczuk, T., Ho, K. M., and Xie, W. W., Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials, Journal of Physical Chemistry C, vol. 122, pp. 5057-5063, 2018.
2017
Z. Zhu, Wu, P., Wu, S. Q., Xu, L. H., Xu, Y. X., Zhao, X., Wang, C. Z., and Ho, K. M., An Efficient Scheme for Crystal Structure Prediction Based on Structural Motifs, Journal of Physical Chemistry C, vol. 121, pp. 11891-11896, 2017.
S. Q. Wu, Balamurugan, B., Zhao, X., Yu, S., Nguyen, M. C., Sun, Y., Valloppilly, S. R., Sellmyer, D. J., Ho, K. M., and Wang, C. Z., Exploring new phases of Fe3-xCoxC for rare-earth-free magnets, Journal of Physics D-Applied Physics, vol. 50, p. 215005, 2017.
X. Zhao, Wang, C. Z., Kim, M., and Ho, K. M., Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material, Inorganic Chemistry, vol. 56, pp. 14577-14583, 2017.
X. Lv, Zhao, X., Wu, S., Wu, P., Sun, Y., Nguyen, M. C., Shi, Y. L., Lin, Z. J., Wang, C. Z., and Ho, K. M., A scheme for the generation of Fe-P networks to search for low-energy LiFePO4 crystal structures, Journal of Materials Chemistry A, vol. 5, pp. 14611-14618, 2017.
X. Zhao, Yu, S., Wu, S. Q., Nguyen, M. C., Wang, C. Z., and Ho, K. M., Structures, phase transitions, and magnetic properties of Co3Si from first-principles calculations, Physical Review B, vol. 96, p. 024422, 2017.
Y. H. Dong, Lu, W. C., Xu, X., Zhao, X., Ho, K. M., and Wang, C. Z., Theoretical search for possible Au-Si crystal structures using a genetic algorithm, Physical Review B, vol. 95, p. 134109, 2017.
L. Luo, Men, L., Liu, Z. Y., Mudryk, Y., Zhao, X., Yao, Y. X., Park, J. M., Shiner, R., Shinar, J., Ho, K. M., Perakis, I. E., Vela, J., and Wang, J. G., Ultrafast terahertz snapshots of excitonic Rydberg states and electronic coherence in an organometal halide perovskite CH3NH3PbI3, Organic, Hybrid, and Perovskite Photovoltaics Xviii, vol. 10363, 2017.
L. Luo, Men, L., Liu, Z. Y., Mudryk, Y., Zhao, X., Yao, Y. X., Park, J. M., Shinar, R., Shinar, J., Ho, K. M., Perakis, I. E., Vela, J., and Wang, J. G., Ultrafast terahertz snapshots of excitonic Rydberg states and electronic coherence in an organometal halide perovskite, Nature Communications, vol. 8, p. 15565, 2017.

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