Crystal growth of the intermetallic compound Nd<sub>2</sub>PdSi<sub>3</sub>

Xu, Yan; Löser, W.; Tang, Fei; Blum, Christian; Liu, L.; Büchner, B.

doi:10.1002/crat.201000653

Cited by 10 publications

(8 citation statements)

References 19 publications

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“…From this the ground state magnetic moments along the c-axis and in the ab-plane are µ z = 1.71µ B /Nd and µ x = 0.46µ B /Nd, respectively. If the anisotropy energy is calculated using the fitted parameters 43 , the easy axis is predicted to correspond to the c-axis, which is in agreement with that observed in the single crystal susceptibility 29 , and corresponds to the direction of the ordered moment below T 0 .…”

Section: Inelastic Neutron Scattering Measurementssupporting

confidence: 79%

“…In this article, we focus on the Nd compound in the R 2 PdSi 3 series, which is an unusual case, since Nd 2 PdSi 3 is believed to undergo a ferromagnetic transition near 16 K [29][30][31][32] , while the materials with other R ions are antiferromagnetic at the onset of magnetic order 35 . In addition, there is a strong enhancement of the magnetic ordering temperature (T 0 ) compared to that expected from de Gennes scaling in this compound.…”

Section: Introductionmentioning

confidence: 99%

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Magnetic order inNd2PdSi3investigated using neutron scattering and muon spin relaxation

et al. 2019

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The rare-earth based ternary intermetallic compounds R2T X3 (R = rare-earth, T = transitionmetal, X = Si, Ge, Ga, In) have attracted considerable interest due to a wide range of interesting low temperature properties. Here we investigate the magnetic state of Nd2PdSi3 using neutron diffraction, muon spin relaxation (µSR) and inelastic neutron scattering (INS). This compound appears anomalous among the R2PdSi3 series, since it was proposed to order ferromagnetically, whereas others in this series are antiferromagnets. Our results confirm the onset of long range magnetic order below T0 = 17 K, where the whole sample enters the ordered state. Neutron diffraction measurements establish the presence of a ferromagnetic component in this compound, as well as an antiferromagnetic one with a propagation vector k2 = (1/2, 1/2, 1/4 − δ) (δ ≈ 0.02 − 0.03) with moments orientated exclusively along the c-axis. µSR measurements suggest that these components coexist on a microscopic level, and therefore the magnetic structure of Nd2PdSi3 is predominantly ferromagnetic, with a sinusoidally modulated antiferromagnetic contribution which reaches a maximum amplitude at 11 K, and becomes smaller upon further decreasing the temperature. INS results show the presence of crystalline-electric field (CEF) excitations above T0, and from our analysis we propose a CEF level scheme.

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Section: Inelastic Neutron Scattering Measurementssupporting

confidence: 79%

Section: Introductionmentioning

confidence: 99%

Magnetic order inNd2PdSi3investigated using neutron scattering and muon spin relaxation

et al. 2019

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“…The Si charge of Nd 2 PdSi 3 in structure type Ce 2 CoSi 3 (Li et al, 2003a;Szytuła et al, 1999;Xu et al, 2011) is À0.50, which is the lowest Si charge within the tested range. Compared to all other compounds, the T element of Nd 2 PdSi 3 is the most negative one with À1.14 and the R element is one of the most positive ones with 1.32.…”

Section: Electronic Structurementioning

confidence: 85%

Structure variations within RSi₂ and R ₂Si₃ silicides. Part II. Structure driving factors

Nentwich

Zschornak

Sonntag

et al. 2020

Acta Crystallogr Sect B

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To gain an overview of the various structure reports on RSi 2 and R 2 TSi 3 compounds (R is a member of the Sc group, an alkaline earth, lanthanide or actinide metal, T is a transition metal), compositions, lattice parameters a and c, ratios c/a, formula units per unit cell, and structure types are summarized in extensive tables and the variations of these properties when varying the R or T elements are analyzed. Following the structural systematization given in Part I, Part II focuses on revealing the driving factors for certain structure types, in particular, the electronic structure. Here, concepts of different complexity are presented, including molecular orbital theory, the principle of hard and soft acids and bases, and a Bader analysis based on Density Functional Theory calculations for representatives of the reported structure types. The potential Si/T ordering in different structures is discussed. Additionally, the influences from intrinsic and extrinsic properties (e.g. elemental size and electronics as well as lattice parameters and structure type) are investigated on each other using correlation plots. Thermal treatment is identified as an important factor for the ordering of Si/T atoms. Nentwich et al. RSi 2 and R 2 Si 3 silicides. Part II. 379 research papers 380 Nentwich et al. RSi 2 and R 2 Si 3 silicides. Part II. Acta Cryst. (2020). B76, 378-410Figure 2R-T diagram of the RSi 2 and R 2 TSi 3 compounds. (a) normalized lattice parameter a, (b) normalized lattice parameter c, (c) normalized ratio c/a of lattice parameters, (d) shortest Si-T bonds, (e) ratio of atomi radii r T,Si /r R , (f) electronegativity difference EN(Si,R), (g) range of ordering, (h) thermal treatment, (i) density and (j) valence electron concentration. The used markers symbolize the crystal system: hexagon -hexagonal AlB 2 -like systems, open star -orthorhombic, AlB 2 -like systems, diamond -tetragonal ThSi 2 systems, elongated diamond -orthorhombic GdSi 2 systems. The lattice parameters a and c of the subplots (a) and (b) are normalized to the R-R distances within a/b and along c, respectively, to provide comparability.Accordingly, the ratio c/a in subplot (c) is also based on these normalizations. The shortest Si/T bonds in subplot (d) are calculated based on the formula (1). Subplot (e) depicts the ratio of atomic radii q rad , which is based on equation (2). Subplot (f) shows the electronegativity difference for the evaluation of the Zintl conditions. For the range of ordering n in subplot (g), a structure with disordered Si/T sites is marked with a black symbol, otherwise the color stands for the range of ordering n. For the thermal treatment (h), the color represents the temperature and the circle size the time of the treatment (triangle if unknown). Application of the floating zone method is marked with a black dot *, while no treatment is marked with a cross Â. The plots for the theoretical properties vec and ratio of radii were completed for not experimentally determined compounds (small circles) (Riedel & Janiak, 2011...

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“…The behavior of Nd 2 PdSi 3 is very different from the other members in this series as it exhibits an unusual ferromagnetic order [20][21][22] while most other members exhibit antiferromagnetic order. Moreover, the magnetic order-ing occurs at a significantly higher temperature (T C ∼ 16 K) than the expected value according to de Gennes scaling.…”

mentioning

confidence: 99%

“…The single crystal of Nd 2 PdSi 3 was grown and characterized as reported elsewhere. 21 Photoemission measurements were carried out using a Scienta electron analyzer, R4000 WAL and monochromatic laboratory sources of Al Kα (hν = 1486.6 eV), He II (hν = 40.8 eV) and He I (hν = 21.2 eV) photon energies. Energy resolution for ultraviolet photoemission measurements were fixed to 2 meV and for x-ray photoemission, it was 350 meV.…”

mentioning

confidence: 99%

Electronic structure studies on single crystalline Nd2PdSi3, an exotic Nd-based intermetallic: Evidence for Nd 4f hybridization

Maiti¹,

Basu²,

Thakur³

et al. 2019

Preprint

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In the series R2PdSi3, Nd2PdSi3 is an anomalous compound in the sense that it exhibits ferromagnetic order unlike other members in this family. The magnetic ordering temperature is also unusually high compared to the expected value for a Nd-based system, assuming 4f localization. Here, we have studied the electronic structure of single crystalline Nd2PdSi3 employing high resolution photoemission spectroscopy and ab initio band structure calculations. Theoretical results obtained for the effective electron correlation strength of 6 eV corroborate well with the experimental valence band spectra. While there is significant Pd 4d-Nd 4f hybridization, the states near the Fermi level are found to be dominated by hybridized Nd 4f -Si 3p states. Nd 3d core level spectrum exhibits multiple features manifesting strong final state effects due to electron correlation, charge transfer and collective excitations. These results serve as one of the rare demonstrations of hybridization of Nd 4f states with the conduction electrons possibly responsible for the exoticity of this compound.

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Crystal growth of the intermetallic compound Nd₂PdSi₃

Cited by 10 publications

References 19 publications

Magnetic order inNd2PdSi3investigated using neutron scattering and muon spin relaxation

Magnetic order inNd2PdSi3investigated using neutron scattering and muon spin relaxation

Structure variations within RSi₂ and R ₂Si₃ silicides. Part II. Structure driving factors

Electronic structure studies on single crystalline Nd2PdSi3, an exotic Nd-based intermetallic: Evidence for Nd 4f hybridization

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Crystal growth of the intermetallic compound Nd2PdSi3

Cited by 10 publications

References 19 publications

Magnetic order inNd2PdSi3investigated using neutron scattering and muon spin relaxation

Magnetic order inNd2PdSi3investigated using neutron scattering and muon spin relaxation

Structure variations within RSi2 and R 2Si3 silicides. Part II. Structure driving factors

Electronic structure studies on single crystalline Nd2PdSi3, an exotic Nd-based intermetallic: Evidence for Nd 4f hybridization

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Crystal growth of the intermetallic compound Nd₂PdSi₃

Structure variations within RSi₂ and R ₂Si₃ silicides. Part II. Structure driving factors