Similarities and Differences between 
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 and 
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 and Implications for Superconductivity

Botana, Antía S.; Norman, M. R.

doi:10.1103/physrevx.10.011024

Cited by 287 publications

(310 citation statements)

References 27 publications

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“…This is an important validation of the pseudopotentials as well as of the convergence parameters used in the plane-waves calculation which constitutes the starting point of our GW calculation. Our DFT band plot is also in very good agreement with previous calculations [2,4].…”

Section: Discussionsupporting

confidence: 91%

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Ab initio many-body GW correlations in the electronic structure of LaNiO2

Olevano

Bernardini²,

Blase

et al. 2020

Phys. Rev. B

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We present an ab initio GW self-energy calculation of the electronic structure of LaNiO2. With respect to density-functional theory we find that in GW the La 4f states undergo an important +2 eV upward shift from the Fermi level, while the O 2p states are pulled down by −1.5 eV, thus reinforcing the charge-transfer character of this material. However, GW many-body effects leave the d-like bands at the Fermi level almost unaffected, so that the Fermi-surface topology is preserved, unlike in cuprates.

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Section: Discussionsupporting

confidence: 91%

“…The relatively small changes introduced by GW manybody effects near the Fermi level make possible a tightbinding fit of the dominant d x 2 −y 2 band as in Ref. [2] (see Fig. 6 in the Appendix).…”

mentioning

confidence: 99%

Ab initio many-body GW correlations in the electronic structure of LaNiO2

Olevano

Bernardini²,

Blase

et al. 2020

Phys. Rev. B

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“…Recently, superconductivity was observed at 9 -15 K in the strontium doped infinite-layer nickelate thin films of Nd0.8Sr0.2NiO2 on SrTiO3 substrate [18] . This work has stimulated enormous interests, and plenty of theoretical works have been carried out [19][20][21][22][23][24][25][26][27][28][29][30][31] . Among them, Zhang et al propose the parent compound of Nd0.8Sr0.2NiO2 as a self-doped Mott insulator [26] .…”

mentioning

confidence: 99%

“…This work suggests that the low-density Nd-5d conduction electrons couple with the localized Ni-3d electrons, which suppresses the long-range AF order and forms Kondo spin singlets at low temperatures. While, Botana and Norman argue that a large ratio of longer-range hopping to near-neighbor hopping is conducive for superconductivity both in cuprates and nickelate [20] . And Ryee et al demonstrate that magnetic two-dimensionality induced by hole doping is the key factor for superconducting Nd1-xSrxNiO2 [25] .…”

mentioning

confidence: 99%

Absence of superconductivity in bulk Nd1−xSrxNiO2

et al. 2020

Commun Mater

168

126

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Recently superconductivity at 9 -15 K was discovered in an infinite-layer nickelate (Nd0.8Sr0.2NiO2 films), which has received enormous attention.Since the Ni 1+ ionic state in NdNiO2 may have the 3d 9 outer-shell electronic orbit which resembles that of the cuprates, it is very curious to know whether superconductivity discovered here has similar mechanism as that in the cuprates. By using a three-step method, we successfully synthesize the bulk samples of Nd1-xSrxNiO2 (x = 0, 0.2, 0.4). The X-ray diffractions reveal that all the samples contain mainly the infinite layer phase of 112 with some amount of segregated Ni. This has also been well proved by the SEM image and the EDS composition analysis. The resistive measurements on the Sr doped samples show insulating behavior without the presence of superconductivity. Temperature dependence of the magnetic moment under high magnetic fields exhibits a Curie-Weiss law feature with the paramagnetic moment of about 2B/f.u.. By applying pressure on Nd0.8Sr0.2NiO2 up to about 50.2 GPa, we find that the strong insulating behavior at ambient pressure is significantly suppressed, but superconductivity has not been observed either. Since the lattice constants derived from our XRD data are very close to those of the reported superconducting films, we argue that the superconductivity in the reported film may not originate from the expected Nd0.8Sr0.2NiO2, but arise from the interface or the stress effect.Since the discovery of high critical temperature superconductivity (HTS) in cuprates in 1986 [1] , there are plenty of experimental and theoretical studies to explore the intrinsic mechanism for superconductivity [2][3][4][5] . There is a general agreement that the parent compound of cuprates like La2CuO4 is a Mott insulator with a charge transfer gap and long-range antiferromagnetic (AF) order [6] . With chemical doping, the long-range AF order will be suppressed at a hole doping level (p  0.02) and d-wave superconductivity emerges at a higher doping level (p  0.05) [7][8][9] . After the efforts more than three decades, some common features have been observed, although the intrinsic pairing mechanism of HTS remains unresolved yet. These include two-dimensional electronic structure and coexistence with an AF order or spin fluctuations, all these also occur in most iron-based [10] and heavy fermion superconductors [11] .Moreover, in cuprates, it is also important that the spin S = 1/2 magnetic moment from 3d 9 electrons form the basic structure of the AF order. One intuitive way to explore the pairing mechanism of cuprates is to find additional high-TC superconductors with different transition metals but similar crystal and

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“…tungsten bronzes [4], titanates [5], bismuthates [6], cuprates [7], and ruthenates [8] extends by a new nickelate member. Several research groups proposed different models for superconducting state in this compound [9][10][11][12], and the exhibiting of the superconducting state in this compound is in a debate [13].…”

Section: Introductionmentioning

confidence: 99%

Classifying superconductivity in an infinite-layer nickelate Nd0.8Sr0.2NiO2

Talantsev

2020

Results in Physics

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Similarities and Differences between LaNiO2 and CaCuO2 and Implications for Superconductivity

Cited by 287 publications

References 27 publications

Ab initio many-body GW correlations in the electronic structure of LaNiO2

Ab initio many-body GW correlations in the electronic structure of LaNiO2

Absence of superconductivity in bulk Nd1−xSrxNiO2

Classifying superconductivity in an infinite-layer nickelate Nd0.8Sr0.2NiO2

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