Ghanshyam Pilania

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● Developed and characterized Si nanowires by chemical vapor deposition through a bio-template route. ● Explained the mechanism of asymmetric anisotropic growth in CdSe nanowires based on first principles density functional theory (DFT) calculations. G. Pilania, T. Sadowski and R. Ramprasad, J. Phys. Chem. C. 113(5), 1863 (2009). ● Based on the ab initio study of antiferroelectric PbZrO3 (001) surfaces explained the surface metallic behavior of lead zirconate in presence of hydroxyl species which leads to the leakage current problems in capacitors with PbZrO3-polymer composite dielectrics. G. Pilania, D. Q. Tan, Y. Cao, V. S. Venkataramani, Q. Chen and R. Ramprasad, J. Mater.

dft electronic properties and materials electronic structure computational methods machine learning computational design polymer dielectrics polarization in nanostructures vortex instabilities perovskite nanowires pbtio3 oxygen adsorption lamno3 surface first principles thermodynamics kmc simulations

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Ghanshyam Pilania

Al-Al2O3-interface

Polarization, strain induced phase transitions and dielectric response in ultrathin PbTiO3 nanowires

Vortex Polarization Instabilities in PbTiO3 Nanowires

First Principles Thermodynamics and Kinetic Monte Carlo Simulations: A case study of LaMnO3 (001) surface