極端條件下之新穎鐵氧化物(1/3)

Over the past 25 years, thousands of exoplanets have been discovered.Knowledge of materials properties at exoplanet conditions is key to fullyunderstand the formation, evolution, internal dynamics, and habitability ofexoplanets. Among various types of exoplanets, we are particularly interested interrestrial super-Earths (exoplanets with 1-10 times of the Earth's mass, internalpressure up to the TPa regime), for their chemical composition similar to theEarth, and for their potential habitability. Here, we propose to use first-principlescalculations to investigate the physical properties of potential candidate materialsof super-Earth interiors, including iron oxides (Fe-O), iron magnesium oxides (FeMg-O), and iron magnesium silicates (Fe-Mg-Si-O). We plan to perform structureprediction to find out the atomic structures of these novel Fe oxides and Febearing oxides at extreme conditions of exoplanet interiors (up to several TPa).Further, we will investigate the physical properties of these novel materials,especially the effects of iron spin crossover and accompanying anomalies ofthermal properties. The outcome of our interdisciplinary research helps (1)condensed matter physicists to understand correlated materials at extremeconditions, and (2) planetary scientists to fully understand exoplanet interiors.