论文标题
使用多重分析的框架来确定流体汞的金属到绝缘体过渡区域周围的电子局部到扩展状态过渡点
Determination of the Electronic Localized-to-Extended-State Transition Point around the Metal-to-Insulator Transition Region of Fluid Mercury Using the Framework of Multifractal Analysis
论文作者
论文摘要
研究了金属到绝缘体的转变以及该疾病诱导的流体汞电子轨道（F-HG）的定位。 F-HG的电子结构是通过从头算分子动力学模拟的。为了查看电子轨道的模拟尺寸依赖性的行为，模拟了具有不同原子数量的系统。电子轨道的多重量度度量的尺寸依赖性随着密度降低而逆转，这表明在F-HG的金属到绝缘体过渡区域附近存在扩展到位的状态过渡。
The metal-to-insulator transition and the presence of the disorder induced localization of electronic orbitals of fluid mercury (f-Hg) were investigated. The electronic structure of f-Hg was simulated by means of ab initio molecular dynamics. To see the behavior of the simulation size dependency of the electronic orbital, systems with different number of atoms were simulated. The size dependency of the multifractal measure of the electronic orbitals reversed with decreasing the density, which suggests there exists the extended-to-localized-state transition near the metal-to-insulator transition region of f-Hg.
