Application of electron theories in materials science

作者：Li Wu-Hui; Ren Feng-Zhang; Ma Zhan-Hong; Jia Shu-Guo; Tian Bao-Hong; Zheng Mao-Sheng

来源：Chinese Journal of Nonferrous Metals, 2008, 18(3): 494-504.

• CHENG Kaijia theory
• Electron theory
• Functional materials
• Nanomaterials
• Structural materials
• Surface science
• YU Ruihuang theory

Density functional theory (DFT), YU Rui-huang theory (Empirical Electron Theory of Solids and Molecules, EET) and CHENG Kai-jia theory (Modified Thomas-Fermi-Dirac electron theory, TFDC) were briefly introduced. The application of DFT in the area of functional materials, structural materials, surface science and so on, the application of EET in the area of metal alloys and ceramics and the application of TFDC in the area of dislocation stability, internal stresses inside thin films and nanomaterials were emphasized. The correlations among the three kinds of electron theories and their respective characteristics of application were described. Moreover, the conclusion with personal views towards future applications of them were put forward and their organic integration was proposed as an effective way to the development of electron theories.

• 出版日期2008
• 单位河南大学; 西北大学