论文标题

HO2IR3SI5中的巨大电荷密度波排序和磁性之间的耦合

Coupling between colossal charge density wave ordering and magnetism in Ho2Ir3Si5

论文作者

Ramakrishnan, Sitaram, Bao, Jin-Ke, Eisele, Claudio, Patra, Bikash, Nohara, Minoru, Bag, Biplab, Noohinejad, Leila, Tolkiehn, Martin, Paulmann, Carsten, Schaller, Achim M., Rekis, Toms, Kotla, Surya Rohith, Schönleber, Andreas, Thamizhavel, Arumugam, Singh, Bahadur, Ramakrishnan, Srinivasan, van Smaalen, Sander

论文摘要

HO2IR3SI5属于三维(3D)R2IR3SI5(R = L = LU,ER和HO)化合物的家族,这些化合物表现出巨大的一阶电荷密度波(CDW)过渡,其中存在强烈的正骨 - 骨质 - 骨质 - 骨髓静脉 - 伴随着伴随超级扣除的伴随的静脉曲张。通过单晶X射线衍射(SXRD)进行的分析表明,沿C沿C的IR-IR锯齿形链在所有三种化合物中均负责CDW。稀土元素从非磁性lu替换为磁性ER或HO降低了TCDW,其中TCDWLU = 200 K,TCDWER = 150 K和TCDWHO = 90K。在三种化合物中,HO2IR3SI5是唯一可以观察到唯一的系统,可以观察到唯一的系统,可以观察到唯一的系统。在特定热,电导率和磁化易感性的温度依赖性中,CDW转变被视为异常,其中包括所有测量特性的较大滞后90至130 K,从而证实了SXRD测量值。与先前报道的ER2IR3SI5相似,CDW和磁性之间似乎存在耦合,因此即使在顺磁性状态下,HO3+磁矩也受到CDW过渡的影响。此外,对多晶材料的较早研究表明,在Tn = 5.1 K处的抗铁磁(AFM)排序,而AFM顺序被抑制,并且在我们高度有序的单晶中只有CDW。第一原理计算预测HO2IR3SI5是在费米水平上具有共存电子和孔口袋的金属。 HO和IR原子具有容易发生CDW失真的球体对称金属型电荷密度分布。声子计算确认IR原子主要负责CDW失真,这与实验一致。

Ho2Ir3Si5 belongs to the family of three-dimensional (3D) R2Ir3Si5 (R = Lu, Er and Ho) compounds that exhibit a colossal first-order charge density wave (CDW) transition where there is a strong orthorhombic-to-triclinic distortion of the lattice accompanied by superlattice reflections. The analysis by single-crystal X-ray diffraction (SXRD) has revealed that the Ir-Ir zigzag chains along c are responsible for the CDW in all three compounds. The replacement of the rare earth element from non-magnetic Lu to magnetic Er or Ho lowers TCDW, where TCDWLu = 200 K, TCDWEr = 150 K and TCDWHo = 90 K. Out of the three compounds, Ho2Ir3Si5 is the only system where second-order superlattice reflections could be observed, indicative of an anharmonic shape of the modulation wave. The CDW transition is observed as anomalies in the temperature dependencies of the specific heat, electrical conductivity and magnetic susceptibility, which includes a large hysteresis of 90 to 130 K for all measured properties, thus corroborating the SXRD measurements. Similar to previously reported Er2Ir3Si5, there appears to be a coupling between CDW and magnetism such that the Ho3+ magnetic moments are influenced by the CDW transition, even in the paramagnetic state. Moreover, earlier investigations on polycrystalline material revealed antiferromagnetic (AFM) ordering at TN = 5.1 K, whereas AFM order is suppressed and only the CDW is present in our highly ordered single-crystal. First-principles calculations predict Ho2Ir3Si5 to be a metal with coexisting electron and hole pockets at the Fermi level. The Ho and Ir atoms have spherically symmetric metallic-type charge density distributions that are prone to CDW distortion. Phonon calculations affirm that the Ir atoms are primarily responsible for the CDW distortion, which is in agreement with the experiment.

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