On the Sulfides, Selenides, and Tellurides of Palladium.

Grønvold, Fredrik; Røst, Erling; Aurivillius, Bengt; Eliasson, N. A.; Thorell, B.

doi:10.3891/acta.chem.scand.10-1620

Cited by 126 publications

(60 citation statements)

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“…Among them are the compounds PdaSe and Pd4S. X-ray powder photographs by Gronvold & Rost (1956) showed that the unit cells are tetragonal with the following dimensions: a = 5.2324, c-= 5.6470 A for PdaSe, and a--5.1147, c=5.5903 Jk for Pd4S.…”

Section: Introductionmentioning

confidence: 99%

The crystal structures of Pd₄Se and Pd₄S

Grønvold¹,

Røst²

1962

Acta Cryst

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Section: Introductionmentioning

confidence: 99%

The crystal structures of Pd₄Se and Pd₄S

Grønvold¹,

Røst²

1962

Acta Cryst

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“…The figure shows that the large channels delimited by Pt-S bonds along the ͓100͔ and ͓010͔ directions are a distinctive feature of this structure. At a pressure of 3 GPa, Collins et al observed a phase transition to a different structure, isomorphous to the palladium sulfide ͑PdS͒ structure 15 with a space group P4 2 / m ͑84͒ and 16 atoms per primitive cell. This last structure is less symmetric and denser than PtS, and while Pt and S retain their square planar and tetrahedral coordinations, there are half as many channels.…”

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confidence: 99%

Negative compressibility in platinum sulfide using density-functional theory

et al. 2010

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The structural and dynamic properties of the mineral Cooperite ͑PtS͒ are investigated using densityfunctional theory. The results show that a competition with the less symmetric but more compact PdS structure leads to a phase transition when the pressure is increased. However, before the phase transition, PtS displays a rare anomalous elastic behavior by expanding along its long axis under hydrostatic pressure. We report the elastic constants of PtS and interpret this negative linear compressibility in the context of a displacive phase transition. We also show that the real structure of PtS is less symmetric than originally determined by experiment.

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“…In our computations, we utilize the room temperature experimental lattice parameters: a = b = 4.152Å and c = 5.672Å, 34 and the hexagonal crystal structure with space group P6 3 /mmc (Patterson symbol). 35 Pd and Te atoms occupy 2a and 2c Wyckoff positions, respectively, namely, Pd (1) (2): (2/3,1/3,1/4).…”

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confidence: 99%

First-principles Wannier function analysis of the electronic structure of PdTe: weaker magnetism and superconductivity

Ekuma¹,

Lin²,

Moreno³

et al. 2013

J. Phys.: Condens. Matter

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We report a first-principles Wannier function study of the electronic structure of PdTe. Its electronic structure is found to be a broad three-dimensional Fermi surface with highly reduced correlations effects. In addition, the higher filling of the Pd d-shell, its stronger covalency resulting from the closer energy of the Pd-d and Te-p shells, and the larger crystal field effects of the Pd ion due to its near octahedral coordination all serve to weaken significantly electronic correlations in the particle-hole (spin, charge, and orbital) channel. In comparison to the Fe Chalcogenide e.g., FeSe, we highlight the essential features (quasi-two-dimensionality, proximity to half-filling, weaker covalency, and higher orbital degeneracy) of Fe-based high-temperature superconductors.PACS numbers: 31.15. 74.70.Ad, 71.15.Ap, 71.27.+a

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On the Sulfides, Selenides, and Tellurides of Palladium.

Cited by 126 publications

References 0 publications

The crystal structures of Pd₄Se and Pd₄S

The crystal structures of Pd₄Se and Pd₄S

Negative compressibility in platinum sulfide using density-functional theory

First-principles Wannier function analysis of the electronic structure of PdTe: weaker magnetism and superconductivity

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On the Sulfides, Selenides, and Tellurides of Palladium.

Cited by 126 publications

References 0 publications

The crystal structures of Pd4Se and Pd4S

The crystal structures of Pd4Se and Pd4S

Negative compressibility in platinum sulfide using density-functional theory

First-principles Wannier function analysis of the electronic structure of PdTe: weaker magnetism and superconductivity

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The crystal structures of Pd₄Se and Pd₄S

The crystal structures of Pd₄Se and Pd₄S