Präparation von SrNiO<sub>2</sub>‐Einkristallen mit eben koordiniertem Nickel

Pausch, H.; Müller‐Buschbaum, Hk.

doi:10.1002/zaac.19764260207

Cited by 18 publications

(4 citation statements)

References 12 publications

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“…Furthermore, the emergence of this distortions is quite surprising as SrNiO 2 crystallizes with the same lattice structure and alsmost the same lattice parameters as SrCuO 2 . 44 The additional peaks overlap with the "normal" resonance lines. Therefore in the following, only the 63 Cu high-field satellite which is not disturbed by additional lines will be studied in detail.…”

Section: Resultsmentioning

confidence: 97%

Effect of different in-chain impurities on the magnetic properties of the spin chain compound SrCuO2 probed by NMR

et al. 2017

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The S = 1/2 Heisenberg spin chain compound SrCuO2 doped with different amounts of nickel (Ni), palladium (Pd), zinc (Zn) and cobalt (Co) has been studied by means of Cu nuclear magnetic resonance (NMR). Replacing only a few of the S=1/2 Cu ions with Ni, Pd, Zn or Co has a major impact on the magnetic properties of the spin chain system. In the case of Ni, Pd and Zn an unusual line broadening in the low temperature NMR spectra reveals the existence of an impurity-induced local alternating magnetization (LAM), while exponentially decaying spin-lattice relaxation rates T −1 1 towards low temperatures indicate the opening of spin gaps. A distribution of gap magnitudes is proven by a stretched spin-lattice relaxation and a variation of T −1 1 within the broad resonance lines. These observations depend strongly on the impurity concentration and therefore can be understood using the model of finite segments of the spin 1/2 antiferromagnetic Heisenberg chain, i.e. pure chain segmentation due to S = 0 impurities. This is surprising for Ni as it was previously assumed to be a magnetic impurity with S = 1 which is screened by the neighboring copper spins. In order to confirm the S = 0 state of the Ni, we performed x-ray absorption spectroscopy (XAS) and compared the measurements to simulated XAS spectra based on multiplet ligand-field theory. Furthermore, Zn doping leads to much smaller effects on both the NMR spectra and the spin-lattice relaxation rates, indicating that Zn avoids occupying Cu sites. For magnetic Co impurities, T −1 1 does not obey the gap like decrease, and the low-temperature spectra get very broad. This could be related to the increase of the Néel temperature which was observed by recent µSR and susceptibility measurements, 1 and is most likely an effect of the impurity spin S = 0.

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Section: Resultsmentioning

confidence: 97%

Effect of different in-chain impurities on the magnetic properties of the spin chain compound SrCuO2 probed by NMR

et al. 2017

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“…Infinite-layer NdNiO 2 is isostructural to the tetragonal infinite-layer cuprate CaCuO 2 , composed of alternately stacked Nd and NiO 2 planes as described in [8]. Although the crystallization structure of SrNiO 2 is different from that of NdNiO 2 [41], we assume they are the same in structure for comparison. The lattice constants are a = 3.85 Å, c = 3.26 Å for NdNiO 2 and a = 3.79 Å, c = 3.48 Å for SrNiO 2 .…”

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confidence: 99%

First-principle study of Sr-doping effect in Nd_1-x Sr_xNiO₂

Deng¹,

Jiang²,

Lu³

et al. 2021

EPL

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Sr-doped infinite layer nickelate Nd1−xSrxNiO2 was recently reported as a superconductor analogous to the layered copper oxides. Previous works revealed that two bands of mainly Nd 5d and Ni 3d characters cross the Fermi level in NdNiO2, whose behaviors under Sr doping are still unclear. We perform density functional theory calculations of supercell Nd1−xSrxNiO2 to systematically study the evolution of its electronic structure at different doping levels. Our results show that a relative shift occurs between the Nd 5d and Ni 3d bands with Sr doping, deviating significantly from the commonly adopted rigid-band approximation for studying doped compounds. In addition, the relative positions of O-p bands rise with respect to the Fermi level when the Sr concentration increases, resulting in a reduced charge transfer gap. We further estimate the hole concentrations on each band and Hall coefficients, and discuss their relevance to recent experiments.

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“…Methods-We study LaNiO 2 instead of NdNiO 2 to avoid the issue of Nd-4f orbitals [16,42]. Although SrNiO 2 does not crystallize in the LaNiO 2 structure [58], in this work, for the purpose of comparison, we assume the same crystal structures (P 4/mmm, see Fig. S1 in [59]) and use the same lattice parameters a = b = 3.966 Å and c = 3.376 Å [16,60] for both materials.…”

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confidence: 99%

Hund's metal physics: from SrNiO$_2$ to NdNiO$_2$

Wang,

Kang,

Miao

et al. 2020

Preprint

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We study the normal state electronic structure of the recently discovered infinite-layer nickelate superconductor, Nd1−xSrxNiO2. Using SrNiO2 as a reference, we find that Nd1−xSrxNiO2 is a multi-orbital electronic system with characteristic Hund's metal behaviors, such as metallicity, the importance of high-spin configurations, tendency towards orbital differentiation, and the absence of magnetism in regimes which are ordered according to static mean-field theories. In addition, our DFT+DMFT calculations with exact double counting scheme show that despite large charge carrier doping from SrNiO2 to LaNiO2, the Ni-3d total occupancy is barely changed due to the decreased hybridization with the occupied oxygen-2p states, and increased hybridization with the unoccupied La-5d states. Our results are in good agreement with the existing resonant inelastic x-ray scattering measurements and pave the way to understand the pairing mechanism of Nd1−xSrxNiO2.

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Präparation von SrNiO₂‐Einkristallen mit eben koordiniertem Nickel

Abstract: SrNiO2‐Einkristalle wurden bei hohen Temperaturen unter O2‐Druck dargestellt. SrNiO2 ist isotyp mit SrCuO2 (Raumgruppe D 2h17—Cmcm, a = 3,581, b = 16,362, c = 3,915 Å) Die kristallchemische Verwandtschaft zum K2NiF4‐Typ wird diskutiert.

Cited by 18 publications

References 12 publications

Effect of different in-chain impurities on the magnetic properties of the spin chain compound SrCuO2 probed by NMR

Effect of different in-chain impurities on the magnetic properties of the spin chain compound SrCuO2 probed by NMR

First-principle study of Sr-doping effect in Nd_1-x Sr_xNiO₂

Hund's metal physics: from SrNiO$_2$ to NdNiO$_2$

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Präparation von SrNiO2‐Einkristallen mit eben koordiniertem Nickel

Abstract: SrNiO2‐Einkristalle wurden bei hohen Temperaturen unter O2‐Druck dargestellt. SrNiO2 ist isotyp mit SrCuO2 (Raumgruppe D 2h17—Cmcm, a = 3,581, b = 16,362, c = 3,915 Å) Die kristallchemische Verwandtschaft zum K2NiF4‐Typ wird diskutiert.

Cited by 18 publications

References 12 publications

Effect of different in-chain impurities on the magnetic properties of the spin chain compound SrCuO2 probed by NMR

Effect of different in-chain impurities on the magnetic properties of the spin chain compound SrCuO2 probed by NMR

First-principle study of Sr-doping effect in Nd1-x SrxNiO2

Hund's metal physics: from SrNiO$_2$ to NdNiO$_2$

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Präparation von SrNiO₂‐Einkristallen mit eben koordiniertem Nickel

First-principle study of Sr-doping effect in Nd_1-x Sr_xNiO₂