Theoretical Study of Quantum Gel Formation in Superfluid 4He
Theoretical Study of Quantum Gel Formation in Superfluid 4He
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DOI：
10.1007/s10909-010-0239-7
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发表时间：
2011-03-01
影响因子：
2
通讯作者：
Eloranta, Jussi
中科院分区：
文献类型：
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作者：
Eloranta, Jussi
玻色密度泛函理论计算进行了氖，氩，氟为基础的系统在超流He-4的形成的液体中的二聚体物种的重点。这些原子种类显示出与氦的相对强的结合，因此它们在液体中的溶剂化结构在它们周围表现出高度局部化的液氦层。这些溶剂层修改气相二聚体的潜力，包括一个重组的障碍，这提供了稳定的溶剂化原子。封闭壳层物种氖示出表现出的复合势垒为3 K的二聚体和高达5.8 K的特定集群的几何形状。对于氩，液体感生势垒仅为0.7 K，并且它具有相当大量的过剩能量可沿复合坐标沿着，这表明不可能在超流氦中稳定氩原子。原子氟显示出最明显的效果与26.8 K的复合势垒产生基态F-2。结果表明，氖原子和氟原子是在超流氦中形成杂质基量子凝胶的良好候选者。
Bosonic density functional theory calculations were carried out for neon, argon, and fluorine based systems in superfluid He-4 with an emphasis on the formation of dimeric species in the liquid. These atomic species display relatively strong binding with helium and hence their solvation structures in the liquid exhibit highly localized liquid helium layers around them. These solvent layers modify the gas phase dimer potentials by inclusion of a recombination barrier, which provides stabilization for the solvated atoms. Of closed shell species neon is shown to exhibit a recombination barrier of 3 K for the dimer and up to 5.8 K for specific cluster geometries. For argon, the liquid induced potential barrier is only 0.7 K and it has a rather large amount of excess energy available along the recombination coordinate indicating that it is not possible to stabilize argon atoms in superfluid helium. Atomic fluorine shows the most pronounced effect with the recombination barrier of 26.8 K for producing ground state F-2. It is concluded that neon and fluorine atoms are good candidates to form impurity based quantum gels in bulk superfluid helium.