论文标题
非磁性ba $ _2 $ ymoo $ _6 $的顺磁敏感性的原子级描述
Atomic-scale description of the paramagnetic susceptibility of non-magnetic Ba$_2$YMoO$_6$
论文作者
论文摘要
我们成功地对整个温度范围内的副磁敏感性的温度依赖性取得了非常好的理论描述，源自4D $^1 $^1 $配置中的原子尺度的分散电子结构，这是由Mo $ $ $ $ $ $ $ $ $ $^{5+} $ ions产生的。强烈违反了居里 - 韦斯定律和BYMO实验性观察到50 MK的非磁状态是由于Mo-Ion磁矩的巨大降低引起的。 $χ$（t）的定量复制证明，几乎所有mo ions均在整个温度范围内的mo $^{5+} $状态中。
We succeeded in remarkably nice theoretical description of the temperature dependence of the paramagnetic susceptibility of Ba$_2$YMoO$_6$ in the whole temperature range as originating from the atomic-scale discrete electronic structure of Mo$^{5+}$ ions in the 4d$^1$ configuration resulting from crystal-field and spin-orbit interactions. A strong violation of the Curie-Weiss law and a nonmagnetic state of BYMo experimentally-observed down to 50 mK is caused by the dramatical reduction of the Mo-ion magnetic moment. The quantitative reproduction of $χ$(T) proves that almost all Mo ions are in the Mo$^{5+}$ state over the whole temperature range.
