First-principle Calculation of the Properties of Ti_3SiC_2

作     者：DuanwenSHI YanchunZHOU 

作者机构：InternationalCentreforMaterialsPhysicsInstituteofMetalResearchChineseAcademyofSciencesShenyang110016China CeramicandCompositeDepartmnentInstituteofMetalResearchChineseAcademy 

出 版 物：《Journal of Materials Science & Technology》 (材料科学技术（英文版）)

年 卷 期：2002年第18卷第2期

页      面：146-148页

核心收录：

学科分类：080503[工学-材料加工工程] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：This work was supported by the National Natural Sciences Foundation of China under 

主　　题：First-principle calculation Ti3SiC2 Charge density distribution 

摘      要：The electronic and structural properties for Ti3SiC2 were studied using the first-principle calculation method. By using the calculated band structure and density of states, the high electrical conductivity of Ti3SiC2 are explained. The bonding character of Ti3SiC2 is analyzed in the map of charge density distribution.