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  1. Hyun-Jae Lee, Pawan Kumar*, Chang Hoon Kim, Jihoon Choi, Umesh Waghmare and Jun Hee Lee, "Intrinsic correspondence between monoclinic and orthorhombic HfO2 via mutual induction of lattice modes on the domain wall", Physical Review B, 113, 174116 (2026). Link: https://journals.aps.org/prb/abstract/10.1103/81qn-1yq4

  2. Chang Hoon Kim, Pawan Kumar and Jun Hee Lee, "Interstitial doping effect on ferroelectric rhombohedral HfO2 from ab initio simulations", Physical Review Applied, 24, 064016 (2025). Link: https://journals.aps.org/prapplied/abstract/10.1103/xcgt-crgs

  3. Hamoon Fahrvandi*, Pawan Kumar* and Jun Hee Lee, "Stacking direction dependent Raman mode, wake-up alleviation, and coercive-field reduction in HfO2/ZrO2 superlattices", Physical Review B, 112, 184110 (2025). Link: https://journals.aps.org/prb/abstract/10.1103/x5w6-gc73

  4. Jinhyeong Jo*, Pawan Kumar* and Jun Hee Lee, "Soft mode-driven reduction of switching energy barriers in fluorite ferroelectric", Physical Review Research, 7, 043046 (2025). Link: https://journals.aps.org/prresearch/abstract/10.1103/kkk8-s3lk

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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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