Crystal Structures and Electronic Properties Under High Pressure

Dear Colleagues,

High-pressure crystal structure prediction and the study of structural phase transitions have become key frontiers in condensed matter physics and materials science. Advanced computational methods, including first-principles calculations and intelligent search algorithms, can now accurately predict novel high-pressure structures. The focus of research has shifted from discovering new phases to understanding transition pathways, mechanisms, and their dynamics, supported by in situ diffraction and X-ray spectroscopy techniques. The physical properties of materials are often determined by their crystal structures, and some novel phenomena, such as charge density wave order, are related to structural distortions or lattice modulations. The purpose of this Special Issue is to provide a platform for recent developments in the field of new crystal structure discussed in the context high-pressure, novel structure prediction methods, X-ray experiments, and current work in material properties and its applications.

Dr. Zhiying Guo
Guest Editor

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