凝態物理專題演講
Advanced Topics on Condensed Matter Physics
Department of Physics, NCU
Some applications of first-principles calculations in Earth science
Speaker
Prof. Han Hsu (徐翰)
Dept. of Physics, NCU
Date 2015.12.3 (Thur)
Time 14:00
Place S4-625
Abstract: Electronic structure calculations based on density functional theory (DFT), also known as first-principles calculations, have brought tremendous impact in many scientific disciplines, including physics, chemistry, materials science, and electronic engineering. Not as widely known, first-principles calculations have also played a significant role in Earth science, as materials properties under extreme conditions (high pressure and high temperature) can be accurately computed, while these conditions are difficult to achieve in laboratory. In this talk, I will present our recent work on iron-bearing magnesium silicates and carbonates. The former, (Mg,Fe)SiO3 perovskite and post-perovskite, are the major constituent of the Earth’s lower mantle and directly affect the physical and seismic properties of the lower mantle. The latter, (Mg,Fe)CO3 ferromagnesite and post-magnesite, are believed to be the major carbon carriers in the Earth’s lower mantle and may play a crucial role in the Earth’s deep carbon cycle.