论文标题
单组分分子导体中淋巴结线半准的电运
Electric Transport of Nodal Line Semimetal in Single-Component Molecular Conductor
论文作者
论文摘要
我们检查了声音声子散射对单组分分子导体[PD（DDDT）$ _ 2 $]的电导率的影响（DDDT = 5,6-二氢-1,4-二二硫素-2,3-二硫代酸酯），并通过将先前的二维计算与Dirac Cone [Phorthe cone [Phorthe cone [phorthe cone》中进行半填充。 Rev. b {\ bf 98}，161205（2018）]，其中杂质散射的电运传输表现出Dirac锥和声子散射的明显相互作用，从而最大程度地与温度增加的电导率。导体显示了一个淋巴结线半学，其中同型（最高占用的分子轨道）和Lumo（最低的无置分子轨道轨道）的频带交叉提供了一个与Fermi Energy接近的DIRAC点的环，其距离与状态密度（DOS）相似，与二维Dirac Dirac锥相似。使用紧密结合（TB）模型[ARXIV：2008.09277]，该模型是使用在压力下从最近的X射线衍射实验中观察到的晶体结构获得的，这表明所获得的电导率可以合理地解释了[PD（DDDT）$ _ 2 $]在有限温度下的[PD（dddt）$ _ 2 $]中的异常行为。本文表明，在有限温度下，声音声子散射在狄拉克电子的电导率中至关重要。将当前的电导率的理论结果与实验的理论结果进行了比较。
We examine an effect of acoustic phonon scattering on an electric conductivity of single-component molecular conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) with a half-filled band by applying the previous calculation in a two-dimensional model with Dirac cone [Phys. Rev. B {\bf 98},161205 (2018)], where the electric transport by the impurity scattering exhibits the noticeable interplay of the Dirac cone and the phonon scattering,resulting in a maximum of the conductivity with increasing temperature. The conductor shows a nodal line semimetal where the band crossing of HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) provides a loop of Dirac points located close to the Fermi energy followed by the density of states (DOS) similar to that of two-dimensional Dirac cone. Using a tight-binding (TB) model [arXiv:2008.09277], which was obtained using the crystal structure observed from a recent X ray diffraction experiment under pressure, it is shown that the obtained conductivity explains reasonably the anomalous behavior in [Pd(dddt)$_2$] exhibiting almost temperature independent resistivity at finite temperatures. This paper demonstrates a crucial role of the acoustic phonon scattering at finite temperatures in the electric conductivity of Dirac electrons. The present theoretical results of conductivity are compared with those of experiments.
