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  1. Pawan Kumar and Jun Hee Lee, “Negative Gradient Energy Facilitates Charged Domain Walls in HfO2” Physical Review Letters, 134, 166101 (2025). Link:https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.134.166101

  2. Pawan Kumar and Jun Hee Lee, “Hybrid improper ferroelectricity in a Si-compatible CeO2/HfO2 artificial superlattice” npj Computational Materials, 10, 294 (2024). Link:https://www.nature.com/articles/s41524-024-01487-0

  3. Dipti Gupta, Pawan Kumar and Jun Hee Lee, “Doping engineering to reduce the coercive field of ferroelectric ZrO2 ”, Physical Review Applied, 22, 064039 (2024). Link:https://journals.aps.org/prapplied/abstract/10.1103/PhysRevApplied.22.064039

  4. Pawan Kumar and Jun Hee Lee, “Interface engineering for facile switching of bulk-strong polarization in Si-compatible vertical superlattices”, Scientific Reports, 14, 6811 (2024). Link:https://www.nature.com/articles/s41598-024-56997-0

  5. Pawan Kumar and Umesh V. Waghmare, “First-principles Phonon-based Model and Theory of Martensitic Phase Transformation in NiTi Shape Memory Alloy”, Materialia 9, 100602 (2020). Link:https://www.sciencedirect.com/science/article/pii/S2589152920300193

  6. A. Srivastav, P. Kumar, A. Verma, Y. R. Smith, V. R. Satsangi, R. Shrivastav, U. V. Waghmare, S. Dass, “Experimental and first-principles studies of BiVO4/BiV1-xMnxO4-y n-n+ homojunction for efficient charge carrier separation in sunlight induced water splitting” International Journal of Hydrogen Energy 43, 15815 (2018). Link: https://www.sciencedirect.com/science/article/pii/S0360319918320056

  7. H. K. Singh, P. Kumar and U. V. Waghmare, “Theoretical Prediction of a Stable 2D Crystal of Vanadium Porphyrin: A Half-Metallic Ferromagnet” J. Phys. Chem. C 119, 25657 (2015). Link:https://pubs.acs.org/doi/full/10.1021/acs.jpcc.5b09763

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