Kumar Pradhan Sanand, Pradhan Sharadnarayan, Mal Priyanath, Rambabu P, Lakhani Archana, Das Bipul, Lingam Chittari Bheema, Turpu G R, Das Pradip
Department of Pure and Applied Physics, Guru Ghasidas Vishwavidyalaya, Koni, Bilaspur 495009, C. G., India.
Department of Physics and Photon Science, Gwangju Institute of Science and Technology (GIST), Gwangju 61005, Republic of Korea.
J Phys Condens Matter. 2024 Aug 5;36(44). doi: 10.1088/1361-648X/ad6829.
Kagome-lattice crystal is crucial in quantum materials research, exhibiting unique transport properties due to its rich band structure and the presence of nodal lines and rings. Here, we investigate the electronic transport properties and perform first-principles calculations for NiInSekagome topological semimetal. First-principles calculations of the band structure without the inclusion of spin-orbit coupling (SOC) shows that three bands are crossing the Fermi level (), indicating the semi-metallic nature. With SOC, the band structure reveals a gap opening of the order of 10 meV.index calculations suggest the topologically nontrivial natures (;ν1ν2ν3) = (1;111) both without and with SOC. Our detailed calculations also indicate six endless Dirac nodal lines and two nodal rings with a-Berry phase in the absence of SOC. The temperature-dependent resistivity is dominated by two scattering mechanisms:-interband scattering occurs below 50 K, while electron-phonon (-) scattering is observed above 50 K. The magnetoresistance (MR) curve aligns with the theory of extended Kohler's rule, suggesting multiple scattering origins and temperature-dependent carrier densities. A maximum MR of 120% at 2 K and 9 T, with a maximum estimated mobility of approximately 3000 cmVsare observed. NiInSeis an electron-hole compensated topological semimetal, as we have carrier density of electron () and hole () arene≈nh, estimated from Hall effect data fitted to a two-band model. Consequently, there is an increase in the mobility of electrons and holes, leading to a higher carrier mobility and a comparatively higher MR. The quantum interference effect leading to the two dimensional (2D) weak antilocalization effect (-σxx∝ln(B)) manifests as the diffusion of nodal line fermions in the 2D poloidal plane and the associated encircling Berry flux of nodal-line fermions.
Kagome晶格晶体在量子材料研究中至关重要，由于其丰富的能带结构以及节线和节环的存在而展现出独特的输运性质。在此，我们研究了NiInSe Kagome拓扑半金属的电子输运性质并进行了第一性原理计算。不包含自旋轨道耦合（SOC）的能带结构的第一性原理计算表明，有三个能带穿过费米能级（），表明其半金属性质。包含SOC时，能带结构显示出约10 meV量级的能隙打开。指标计算表明，无论有无SOC，其拓扑非平庸性质（;ν1ν2ν3） = （1;111）。我们的详细计算还表明，在没有SOC的情况下，存在六条无尽的狄拉克节线和两个具有a - 贝里相位的节环。与温度相关的电阻率由两种散射机制主导：低于50 K时发生带间散射，而在50 K以上观察到电子 - 声子（-）散射。磁电阻（MR）曲线符合扩展的科勒规则理论，表明存在多种散射源以及与温度相关的载流子密度。在2 K和9 T时观察到最大MR为120%，最大估计迁移率约为3000 cmVs。NiInSe是一种电子 - 空穴补偿的拓扑半金属，因为根据拟合到双带模型的霍尔效应数据，我们估计电子（）和空穴（）的载流子密度为ne≈nh。因此，电子和空穴的迁移率增加，导致更高的载流子迁移率和相对更高的MR。导致二维（2D）弱反局域化效应（-σxx∝ln(B)）的量子干涉效应表现为节线费米子在二维极向平面中的扩散以及节线费米子相关的环绕贝里通量。
