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Pliberšek, S.; Stoll, E.; Meier, P. F.

doi:10.1023/a:1026437905235

Cited by 3 publications

(5 citation statements)

References 10 publications

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“…The value for b iso of 0.49 a −3 B is considerably smaller than that of 0.71 a −3 B obtained in the La 2 CuO 4 compound [17]. This is due to the buckling of the planar oxygens in the CuO 2 plane [36]. Experiments give constraints on various com-Table 11.…”

Section: Hyperfine Couplingsmentioning

confidence: 93%

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First-principles calculation of electric field gradients and hyperfine couplings in YBa2Cu3O7

et al. 2001

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Abstract. The local electronic structure of YBa2Cu3O7 has been calculated using first-principles cluster methods. Several clusters embedded in an appropriate background potential have been investigated. The electric field gradients at the copper and oxygen sites are determined and compared to previous theoretical calculations and experiments. Spin polarized calculations with different spin multiplicities have enabled a detailed study of the spin density distribution to be made and a simultaneous determination of magnetic hyperfine coupling parameters. The contributions from on-site and transferred hyperfine fields have been disentangled with the conclusion that the transferred spin densities essentially are due to nearest neighbour copper ions only with marginal influence of ions further away. This implies that the variant temperature dependencies of the planar copper and oxygen NMR spin-lattice relaxation rates are only compatible with commensurate antiferromagnetic correlations. The theoretical hyperfine parameters are compared with those derived from experimental data. PACS

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Section: Hyperfine Couplingsmentioning

confidence: 93%

“…The value for b iso of 0.49 a . This is due to the buckling of the planar oxygens in the CuO 2 plane [36]. Experiments give constraints on various com- B .…”

Section: Hyperfine Couplingsmentioning

confidence: 99%

First-principles calculation of electric field gradients and hyperfine couplings in YBa2Cu3O7

et al. 2001

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“…The Labor Party promises to restore demand‐driven funding in 2020 if it returns to office (Plibersek ). This may not mean demand‐driven funding exactly as it was in 2017.…”

Section: Recent Policy Developmentsmentioning

confidence: 99%

“…This may not mean demand‐driven funding exactly as it was in 2017. The Shadow Minister has said that ‘funding agreements might address other national and local priorities such as meeting local labour market need, boosting diversity and participation, community engagement, and driving research excellence’ (Plibersek ). This is consistent with requiring universities to offer or expand specific courses relevant to local community needs.…”

Section: Recent Policy Developmentsmentioning

confidence: 99%

Distributing Student Places in Australian Higher Education

Norton¹

2019

Australian Economic Review

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Higher education systems need policies for distributing student places between higher education providers, courses and students. In supply-driven systems, government and university decisions dominate. In demand-driven systems, student choices play a larger role. Over the last 35 years Australia has moved from a supply-driven to a largely demanddriven university system and then partly back again. When students pay their own costs, both major political parties have supported market distribution of student places for decades. But for subsidised student places there is policy instability, due to fluctuating priorities for containing public expenditure and responding to demographic and labour market changes.

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“…5 should be mentioned that the point charges substitution by the pseudopotentials does not guarantee the stabilization of the structure without a full relaxation of the cluster. In a DFT structure optimization calculation using bare pseudopotentials, relaxing only the apical length, Pliberšek et al 22 found a +0.04 Å shift from the correct experimental value for the apical distance Cu-O. Hence, since our main interest is in the analysis of the symmetry properties of the electron spectrum we try as a first model calculation a background with point charges.…”

Section: Cluster Modelmentioning

confidence: 99%

DENSITY FUNCTIONAL ELECTRONIC SPECTRUM OF THE CuO₆^-10 CLUSTER AND POSSIBLE LOCAL JAHN–TELLER DISTORTIONS IN THE La–Ba–Cu–O SUPERCONDUCTOR

Soto¹,

Castro²,

Yépez³

et al. 2004

Int. J. Mod. Phys. B

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We present a density functional theory (DFT) calculation in the generalized gradient approximation to study the possibility for the existence of Jahn-Teller (JT) or pseudo Jahn-Teller (PJT) type local distortions in the La-Ba-Cu-O superconducting system. We performed the calculation and correspondingly group theory classification of the electronic ground state of the CuO 6 −10 elongated octahedra cluster, immersed in a background simulating the superconductor. Part of the motivation to do this study is that the origin of the apical deformation of the CuO 6 −10 cluster is not due to a pure JT effect, having therefore a non a priori condition to remove the degeneracy of the electronic ground state of the parent regular octahedron. We present a comparative analysis of the symmetry classified electron spectrum with previously reported results using unrestricted Hartree-Fock calculations (UHF). Both the DFT and UHF calculations produced a non-degenerate electronic ground state, not having therefore the necessary condition for a pure JT effect. However, the appearance of a degenerate Eg state near to the highest occupied molecular orbital in the DFT calculation, suggests the possibility for a PJT effect responsible for a local distortion of the oxidized CuO −9 6 cluster.

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Untitled

Cited by 3 publications

References 10 publications

First-principles calculation of electric field gradients and hyperfine couplings in YBa2Cu3O7

First-principles calculation of electric field gradients and hyperfine couplings in YBa2Cu3O7

Distributing Student Places in Australian Higher Education

DENSITY FUNCTIONAL ELECTRONIC SPECTRUM OF THE CuO₆^-10 CLUSTER AND POSSIBLE LOCAL JAHN–TELLER DISTORTIONS IN THE La–Ba–Cu–O SUPERCONDUCTOR

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Untitled

Cited by 3 publications

References 10 publications

First-principles calculation of electric field gradients and hyperfine couplings in YBa2Cu3O7

First-principles calculation of electric field gradients and hyperfine couplings in YBa2Cu3O7

Distributing Student Places in Australian Higher Education

DENSITY FUNCTIONAL ELECTRONIC SPECTRUM OF THE CuO6-10 CLUSTER AND POSSIBLE LOCAL JAHN–TELLER DISTORTIONS IN THE La–Ba–Cu–O SUPERCONDUCTOR

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DENSITY FUNCTIONAL ELECTRONIC SPECTRUM OF THE CuO₆^-10 CLUSTER AND POSSIBLE LOCAL JAHN–TELLER DISTORTIONS IN THE La–Ba–Cu–O SUPERCONDUCTOR