Frontier Research Institute for Interdisciplinary Sciences
Tohoku University

This “Virtual Materials Science” research aims to manifest substances that would otherwise remain in the virtual as real-world matter “beyond the virtual”. Knocking of the virtual materials science breaks the boundaries of extreme environment physics and high-functional materials science through interdisciplinary fusion.

The forthcoming carbon-neutral society, primarily driven by renewable energy, will necessitate the enhancement of energy production and use efficiency by reducing loss during energy transport. A superconductor is one of the materials which have gained prominent attention in this regard. However, the practical application of these materials currently faces significant hurdles, such as the necessity for extremely low temperatures and/or ultra-high pressure comparable to the Earth's core pressure for the stable existence of superconductivity. This study proposes to tackle these obstacles by introducing the concept of stabilizing an unstable state with effective fields into a molecule. By using this concept, we try to artificially induce a pseudo-ultra-high-pressure state in carbon frameworks under ambient pressure. This will be achieved by introducing high-density molecules and atoms into carbon structures such as fullerenes and carbon nanotubes to generate highly compressed conductive materials. The success of this research hinges on the collaborative effort combining nanomaterial chemistry, device technology, computational science led by high-performance molecules, and the theoretical and precise measurement methods established by fundamental physics. Leveraging diverse specializations and unique features, we will endeavor to synthesize lithium-rich C60 at high density and achieve metallic conduction through film formation and single-crystallization.

If we can establish a basis for creating states previously deemed unachievable under normal pressure, we anticipate carving a new lineage in superconductive materials and instigating a breakthrough in materials development. Furthermore, the results of this research have the potential to revolutionize the concept of materials design by chemically accessing extreme environments traditionally generated physically, thereby pioneering the field of unexplored materials science from an interdisciplinary perspective.