Search
Now showing items 1-2 of 2
First principles study of the structural, electronic, elastic, mechanical, thermal, and vibrational properties in pyrochlores and temperature-dependent phonon properties in pyrochlores and SrTiO3 perovskite
In this thesis, first-principles density functional theory (DFT) calculations are used to study the structural, electronic, elastic, mechanical, and thermal properties in a series of pyrochlore materials. The vibrational ...
Electronic structure of two-dimensional materials: Effect of point defects and moiré patterns
In the last two decades, research on two-dimensional (2D) materials has gained momentum due to their capability to host a wide range of novel phases of matter. These materials have also found applications in electronic, ...