作者: Jianwei Xiao , Bin Wen , Roderick Melnik , Yoshiyuki Kawazoe , Xiangyi Zhang
DOI: 10.1039/C4CP01003E
关键词: Thermodynamics 、 Transformation (function) 、 Inorganic chemistry 、 Chemistry 、 Phase (matter) 、 Wide-bandgap semiconductor 、 Phase diagram 、 Cadmium sulfide 、 Temperature and pressure 、 Density functional theory 、 High pressure
摘要: … The pressure–temperature phase diagram and the phase transformation pathways of CdS … and the P–T phase diagram of CdS crystals have been studied by using DFT-QHA theory. …