【摘要】 利用X射线粉末衍射数据结合Rietveld结构精修方法研究并确定两个新三元相Ti（Cu,Pt）₂和Ti（Cu,Pt）₃的晶体结构。使用电子探针（EPMA）检测样品的成分,同时结合纳米压痕技术和第一性原理计算对其弹性性能进行研究。研究发现,Ti（Cu,Pt）₂的空间群为Amm2（No.38）,与VAu₂有着相同的结构类型。Ti（Cu,Pt）₃的结构为四方晶系的AlPt₃结构类型,属于P4/mmm空间群（No.123）。纳米压痕测量和第一性原理计算表明,Ti（Cu,Pt）₂的弹性模量随Pt含量的增加先增大,然后减小;而Ti（Cu,Pt）₃的弹性模量随Pt含量的增加几乎呈线性增加。更多还原

【Abstract】 This paper focused on the crystal structures of two new ternary phases,Ti（Cu,Pt）₂ and Ti（Cu,Pt）₃,which were studied by X-ray powder diffraction data using Rietveld method.Electron probe microanalysis was used for sample composition examination.Elastic properties of these phases were further measured by nano-indentation,and meanwhile calculated with first-principle（FP）calculations.It is found that the crystal structure of Ti（Cu,Pt）₂ is of orthorhombic cell space group Amm2（No.38）with structural prototype of VAu₂.The resolved structure of Ti（Cu,Pt）₃ is of tetragonal Al Pt₃ type,belonging to the space group P4/mmm（No.123）.The nano-indentation measurement and FP calculations show that the elastic modulus of Ti（Cu,Pt）₂ increases firstly then decreases with Pt content,whereas that of Ti（Cu,Pt）₃almost linearly increases with Pt content.更多还原