ScAuIn - a new representative of the RAuIn series
JOURNAL OF SOLID STATE CHEMISTRY(2022)
摘要
A new representative of the RAuIn series was discovered in the Sc-Au-In system. ScAuIn crystallizes in the hexagonal HfRhSn-type structure (space group P-62c) with a = 0.75667(2), c = 0.71873(2) nm). Magnetization measurements revealed that ScAuIn is a Pauli paramagnet with magnetic susceptibility of similar to 6 x 10(-5) emu/mol. The Sommerfeld coefficient gamma of 2.8 mJ K-2 mol(-1) derived from the specific heat measurements is comparable with those obtained from the modeled density of states a the Fermi level N(E-F). Ab initio calculations predict metallic conductivity and show strong chemical bonding within the [InAu] sublattice. The structural stability of the RAuIn with ZrNiAl and HfRhSn structure types is discussed based on crystal chemistry analysis and DFT modeling.
更多查看译文
关键词
Intermetallics,Crystal structure,Magnetic properties,DFT modeling
AI 理解论文
溯源树
样例
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要