论文标题
$ r $ fe $ _ {4} $ sb $ _ {12} $的振动和结构属性($ r = $ na,k,ca,ca,sr,ba)
Vibrational and structural properties of the $R$Fe$_{4}$Sb$_{12}$ ($R=$Na, K, Ca, Sr, Ba) filled skutterudites
论文作者
论文摘要
$ r $ fe $ _ {4} $ sb $ _ {12} $ skutterudites的振动和弹性特性分别由温度$(t)$依赖性扩展的扩展X射线吸收良好结构(EXAFS)和压力$(P)$(p)$依赖性X射线衍射(XRD)实验。 $ r = $ k,ca和ba材料的fe $ k $ - edge exafs实验在$ t $ -interval $ 6 <t <t <300 $ k和xrd实验中进行了$ r = $ r = $ na,k,ca,ca,sr和ba的材料。从EXAFS中,我们获得了相关的Debye-Waller参数,因此分析了与Fe-y $(其中$ y = $ y = $ $ r $,fe或sb)散射路径相关的有效弹簧常数。我们的发现表明,在光阳离子的情况下,$ r = $ k或ca,$ r $ $原子相对较弱地与笼子耦合,在使人联想到爱因斯坦振荡器的情况下。 From the XRD experiments, we obtained the bulk modulus $B_{0}$ for all $R=$Na, K, Ca, Sr and Ba materials, with values ranging from $77$ GPa ($R=$ K) to $R=99$ GPa ($R=$ Ba) as well as the compressibility $β$ as a function of $P$.讨论了$β$作为$ r $填充物的函数的趋势,并表明它与简单的几何考虑因素无关,而与填充箱键合属性相关。
Vibrational and elastic properties of the $R$Fe$_{4}$Sb$_{12}$ skutterudites are investigated by, respectively, temperature $(T)$ dependent extended X-ray absorption fine structure (EXAFS) and pressure $(P)$ dependent x-ray diffraction (XRD) experiments. The Fe $K$-edge EXAFS experiments of the $R=$ K, Ca and Ba materials were performed in the $T$-interval $6<T<300$ K and XRD experiments of the $R=$ Na, K, Ca, Sr and Ba materials were performed in the $P$-interval $1\text{ atm }<P<16$ GPa. From EXAFS, we obtained the correlated Debye-Waller parameters that were thus analyzed to extract effective spring constants connected with the Fe-$Y$ (where $Y=$ either $R$, Fe or Sb) scattering paths. Our findings suggest that in the case of the light cations, $R=$ K or Ca, the $R$ atoms are relatively weakly coupled to the cage, in a scenario reminiscent to the Einstein oscillators. From the XRD experiments, we obtained the bulk modulus $B_{0}$ for all $R=$Na, K, Ca, Sr and Ba materials, with values ranging from $77$ GPa ($R=$ K) to $R=99$ GPa ($R=$ Ba) as well as the compressibility $β$ as a function of $P$. The trend in $β$ as a function of the $R$ filler is discussed and it is shown that it does not correlate with simple geometrical considerations but rather with the filler-cage bonding properties.