We study the vibrational decoherence dynamics of an iodine molecule in a finite krypton cluster comprising the first solvation shell. A normal mode analysis allows us to successively increase the complexity of the description. For the ground state dynamics, comparison with experimental matrix results shows that already four degrees of freedom are sufficient to capture the main decoherence mecha...

The Kagome lattice is an important fundamental structure in condensed matter physics for investigating the interplay of electron correlation, topology, and frustrated magnetism. Recent work on metals AV3Sb5 (A = K, Rb, Cs) family, has shown a multitude correlation-driven distortions, including symmetry breaking charge density waves nematic superconductivity at low temperatures. Here we study ne...

The spinel LiNi0.5Mn1.5O4 is largely studied as a positive electrode material for lithium-ion batteries, but further optimization of its properties required to enable commercialization. superior electrochemical performance the disordered polymorph limited by traditional method synthesis. This solid-state route generates impurities that reduce specific capacity and results in formation octahedra...

The comprehension of structural behaviors in double perovskites is crucial for their functional optimization, especially when applying external regulations. Here, to inquire about potential structures with better magnetic performance, high-pressure phase transformation perovskite Ba2SmBiO6 was first investigated up 50 GPa via situ x-ray diffraction and Raman spectroscopy. A pressure-induced tra...