Theoretical electron energy-loss spectroscopy and its application in materials research.
Electron energy-loss near-edge fine structure (ELNES) of group-III nitrides is calculated using a pseudopotential plan wave method within the framework of density functional theory. Core-hole effect and supercell size influence are investigated. Based on our present and earlier work, a comprehensive understanding of theoretical ELNES application in materials research is demonstrated: interpreting experimental spectra, predicating theoretical reference spectra when reliable experimental spectra are not available, identifying ELNES-structure correlation and estimating the reliability of experimental spectra.
Zhu
Jing
J
Department of Materials Science and Engineering, Tsinghua University, Beijing 100084, People's Republic of China. jzhu@mail.tsinghua.edu.cn
Gao
Shang-Peng
SP
Zhang
Ai-Hua
AH
Yuan
Jun
J