Unusual charge density wave transition and absence of magnetic ordering in 
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Ramakrishnan, S.; Schönleber, Andreas; Rekis, Toms; Well, Natalija van; Noohinejad, Leila; Smaalen, Sander van; Tolkiehn, Martin; Paulmann, Carsten; Bag, Biplab; Thamizhavel, A.; Pal, D.; Ramakrishnan, S.

doi:10.1103/physrevb.101.060101

Cited by 28 publications

(27 citation statements)

References 30 publications

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“…This is in agreement with the slightly smaller atomic radius of Lu than of Er (2.17 vs 2.26 Å) [39]. Lu 2 Ir 3 Si 5 is diamagnetic [30], whereas Er 2 Ir 3 Si 5 is paramagnetic with a magnetic moment per Er atom that is about 10% lower than the theoretical moment of Er 3+ [33]. This major difference is not reflected in the CDW distortions.…”

Section: Resultssupporting

confidence: 84%

“…S3 of the Supplemental Material [35]. This is the same symmetry as has been found for the CDW phase of Er 2 Ir 3 Si 5 [33].…”

Section: Resultssupporting

confidence: 72%

“…Here we report the low-temperature crystal structure of Lu 2 Ir 3 Si 5 in its CDW state. We find that the incommensurately modulated structure is similar to that of Er 2 Ir 3 Si 5 in its CDW state [33]. We discuss the similarities and subtle differences between the two compounds.…”

Section: Introductionmentioning

confidence: 64%

“…Previously, we have investigated the CDW of the isostructural compound Er 2 Ir 3 Si 5 [31][32][33]. SXRD has revealed superlattice reflections below 150 K at similar positions as found for Lu 2 Ir 3 Si 5 , that is, q = [0.2495(2), 0.4973(1), 0.2483(1)] at 75 K. However, we have discovered a strong monoclinic lattice distortion, which develops at the CDW phase transition [33]. We found that the actual symmetry of the lowtemperature crystal structure of the CDW phase is triclinic.…”

Section: Introductionmentioning

confidence: 99%

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Modulated crystal structure of the atypical charge density wave state of single-crystal Lu2Ir3Si5

et al. 2021

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The three-dimensional charge density wave (CDW) compound Lu 2 Ir 3 Si 5 undergoes a first-order CDW phase transition at around 200 K. An atypical CDW state is found, that is characterized by an incommensurate CDW with q = [0.2499(3), 0.4843(4), 0.2386(2)] at 60 K, and a large orthorhombic-to-triclinic lattice distortion with β = 91.945(2) • . We present the modulated crystal structure of the incommensurate CDW state. Structural analysis shows that the CDW resides on the zigzag chains of iridium atoms along c. The structural distortions are completely similar between nonmagnetic Lu 2 Ir 3 Si 5 and previously studied isostructural magnetic Er 2 Ir 3 Si 5 with the small differences explained by the different values of the atomic radii of Lu and Er. Such a similarity is unique to R 2 Ir 3 Si 5 (R = rare earth). It differs from, for example, the rare-earth CDW compounds R 5 Ir 4 Si 10 for which Lu 5 Ir 4 Si 10 and Er 5 Ir 4 Si 10 possess entirely different CDW states. We argue that the mechanism of CDW formation, thus, is different for R 2 Ir 3 Si 5 and R 5 Ir 4 Si 10 .

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Section: Resultssupporting

confidence: 84%

“…S3 of the Supplemental Material [35]. This is the same symmetry as has been found for the CDW phase of Er 2 Ir 3 Si 5 [33].…”

Section: Resultssupporting

confidence: 72%

Section: Introductionmentioning

confidence: 64%

Section: Introductionmentioning

confidence: 99%

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Modulated crystal structure of the atypical charge density wave state of single-crystal Lu2Ir3Si5

et al. 2021

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“…The EPC peaks at a particular wave vector q. A static modulation with this wave vector then leads to a lowering of the energy of the system, which is not purely electronic, but should be attributed to the EPC terms.Here, we present comprehensive studies towards CDWs in the materials La3Co4Sn13, CuV2S4 and Er2Ir3Si5 with strong electron correlations [4][5][6]. Temperature-dependent transport and thermodynamic properties are correlated with temperature dependent diffraction studies.…”

mentioning

confidence: 99%

Atomic mechanisms for the formation of charge-density waves in three-dimensional electronic crystals

Smaalen¹,

Ramakrishnan²,

Ramakrishnan³

2021

Acta Cryst Sect A

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The charge-density wave (CDW) is a modulation of the density of conduction electrons in metals, which is coupled to displacements of the atoms according to a wave with the same wavelength (same wave vector) as the modulation of the conduction band [1]. The classical CDW is the stable state of quasi-1-dimensional (1D) metallic crystals at low temperatures. The latter possess crystal structures with obvious 1D features, like chains of atoms supporting 1D electron bands, and these materials display a highly anisotropic electrical resistance, with the low resistance in the direction of the 1D atomic chains. The mechanism is Fermi-surface nesting (FSN), where a single wave vector q connects to each other different parts of the Fermi surface. A modulation of the atomic positions according to a wave with this wave vector q leads to a lowering of the electronic energy. The accompanying elastic strain then leads to an optimal magnitude of the atomic displacements, the latter which can be measured by x-ray diffraction (XRD).More recently, CDWs have been found in metals whose crystal structures and physical properties lack obvious 1D features [2, 3]. Mechanisms have been put forward, that provide alternative explanations for the formation of CDWs. In particular this includes qdependent electron-phonon coupling (EPC). The EPC peaks at a particular wave vector q. A static modulation with this wave vector then leads to a lowering of the energy of the system, which is not purely electronic, but should be attributed to the EPC terms.Here, we present comprehensive studies towards CDWs in the materials La3Co4Sn13, CuV2S4 and Er2Ir3Si5 with strong electron correlations [4][5][6]. Temperature-dependent transport and thermodynamic properties are correlated with temperature dependent diffraction studies. First-order and second order CDW phase transitions are identified. Crystal structures of the CDW phases are determined, while considering changes of the symmetry along with the development of twinned crystals at the phase transitions. Crystal structures are successfully used to identify the atomic mechanisms of CDW formation and to explain peculiar electronic and magnetic properties. La3Co4Sn13: to Imm2( 0 0) (No. 44.1.12.4) and Er2Ir3Si5: Ibam (No. 72) to I-1(1 2 3) (No. 2.1.1.1).

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Realization of Z₂ Topological Metal in Single‐Crystalline Nickel Deficient NiV₂Se₄

et al. 2023

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Temperature-dependent electronic and magnetic properties are reported for nickel-deficient NiV 2 Se 4 . Single-crystal X-ray diffraction shows it to crystallize in the monoclinic Cr 3 S 4 structure type with space group I2∕m and vacancies on the Ni site, resulting in the composition Ni 0.85 V 2 Se 4 in agreement with our electron-probe microanalysis. Structural distortions are not observed down to 1.5 K. Nevertheless, the electrical resistivity shows metallic behavior with a broad anomaly around 150-200 K that is also observed in the heat capacity data. This anomaly indicates a change of state of the material below 150 K. It is believed that this anomaly could be due to spin fluctuations or charge-density-wave fluctuations, where the lack of long-range order is caused by vacancies at the Ni site of Ni 0.85 V 2 Se 4 . The non-linear temperature dependence of the resistivity as well as an enhanced value of the Sommerfeld coefficient 𝜸 = 104.0 (1) mJ mol −1 K −2 suggest strong electron-electron correlations in this material. First-principles calculations performed for NiV 2 Se 4 , which are also applicable to Ni 0.85 V 2 Se 4 , classify this material as a topological metal with Z 2 = (1; 110) and coexisting electron and hole pockets at the Fermi level. The phonon spectrum lacks any soft phonon mode, consistent with the absence of periodic lattice distortion in the present experiments.

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Unusual charge density wave transition and absence of magnetic ordering in Er2Ir3Si5

Cited by 28 publications

References 30 publications

Modulated crystal structure of the atypical charge density wave state of single-crystal Lu2Ir3Si5

Modulated crystal structure of the atypical charge density wave state of single-crystal Lu2Ir3Si5

Atomic mechanisms for the formation of charge-density waves in three-dimensional electronic crystals

Realization of Z₂ Topological Metal in Single‐Crystalline Nickel Deficient NiV₂Se₄

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Unusual charge density wave transition and absence of magnetic ordering in Er2Ir3Si5

Cited by 28 publications

References 30 publications

Modulated crystal structure of the atypical charge density wave state of single-crystal Lu2Ir3Si5

Modulated crystal structure of the atypical charge density wave state of single-crystal Lu2Ir3Si5

Atomic mechanisms for the formation of charge-density waves in three-dimensional electronic crystals

Realization of Z2 Topological Metal in Single‐Crystalline Nickel Deficient NiV2Se4

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Realization of Z₂ Topological Metal in Single‐Crystalline Nickel Deficient NiV₂Se₄