The crystal structure of PdSe2 and PdS2

Grønvold, Fredrik; Røst, Erling

doi:10.1107/s0365110x57000948

Cited by 127 publications

(106 citation statements)

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“…The observed trend is similar to that observed in 1 T -Cu x TiSe 2 4, 1 T -Pd x TiSe 2 6, and 2 H -Cu x TaS 2 5. The a - ( c -) value of PdSe 2 is larger (smaller) than that of 2 H -TaSe 2 29. Hence, if Pd ions are partly substituting Ta ions, TaSe 2 would have exhibited the increase of a and decrease of c , which is in contrast to our results.…”

Section: Resultssupporting

confidence: 83%

Interplay of charge density wave and multiband superconductivity in 2H-PdxTaSe2

Bhoi

Khim

Nam

et al. 2016

Sci Rep

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2H-TaSe2 has been one of unique transition metal dichalcogenides exhibiting several phase transitions due to a delicate balance among competing electronic ground states. An unusual metallic state at high-T is sequentially followed by an incommensurate charge density wave (ICDW) state at ≈122 K and a commensurate charge density wave (CCDW) state at ≈90 K, and superconductivity at TC ~ 0.14 K. Upon systematic intercalation of Pd ions into TaSe2, we find that CCDW order is destabilized more rapidly than ICDW to indicate a hidden quantum phase transition point at x ~ 0.09–0.10. Moreover, TC shows a dramatic enhancement up to 3.3 K at x = 0.08, ~24 times of TC in 2H-TaSe2, in proportional to the density of states N(EF). Investigations of upper critical fields Hc2 in single crystals reveal evidences of multiband superconductivity as temperature-dependent anisotropy factor γH = , quasi-linear increase of , and an upward, positive-curvature in near TC. Furthermore, analysis of temperature-dependent electronic specific heat corroborates the presence of multiple superconducting gaps. Based on above findings and electronic phase diagram vs x, we propose that the increase of N(EF) and effective electron-phonon coupling in the vicinity of CDW quantum phase transition should be a key to the large enhancement of TC in PdxTaSe2.

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Section: Resultssupporting

confidence: 83%

Interplay of charge density wave and multiband superconductivity in 2H-PdxTaSe2

Bhoi

Khim

Nam

et al. 2016

Sci Rep

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“…This distance lies well within the range observed in other nonmetallic polyselenides (in pyrite-type MnSe2: 2.38 Ä [5], in orthorhombic PdSe2: 2.36 Ä [6], in the pyrite derivative Rh3Ses: 2.415 and 2.416 A [7] and in marcasite-type FeSe2: 2.535 Ä [8]. The less accurate Se-Se distances in BaSe3, 2.35 Ä, appear to be at the lower limit.…”

supporting

confidence: 55%

The Crystal Structures of BaSe₂ and BaSe₃

Hulliger

Siegrist

1981

Zeitschrift Für Naturforschung B

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“…These distances also compare well with the corresponding distances in PdPS (Table 5). As will be discussed later, the PdPS structure is closely related to the structures of PdP2 (Zachariasen, 1963b) and PdS2 (Gronvold & Rost, 1957). It is remarkable that both the Pd-P distance of 2.34 A in PdP2 and the Pd-S distance of 2.30 A in PdS2 fall outside the ranges found in molecular Pd compounds and differ by about 0.05 A each from the corresponding distance in PdPS.…”

Section: Interatomic Distancesmentioning

confidence: 77%

The structure of PdPS and the crystal chemistry of late transition-metal dipnictides and dichalcogenides

Jeitschko¹

1974

Acta Crystallogr B Struct Crystallogr Cryst Chem

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PdPS crystallizes with orthorhombic symmetry, space group Pbcn (DI~) and lattice constants a= 13"3045 (37), b= 5"6777 (5), e= 5"6932 (5),~, Z= 8. The structure was determined from single-crystal counter data by Patterson and Fourier methods. Full-matrix least-squares refinements with ellipsoidal thermal parameters resulted in a conventional R value of 0.040 for 1194 structure amplitudes greater than three standard deviations. The distinction between the P and S atoms was made by analogy with isostructural PdPSe for which the ordering of the P and Se atoms was determined from powder patterns. Palladium is in square-planar coordination of two P and two S atoms. The P and S atoms may be considered as forming [S-P-P-S] 4-polyanions. Phosphorus is tetrahedrally coordinated to one P, one S, and two Pd atoms. The S atom can be described as being tetrahedrally coordinated by two Pd atoms, one P atom, and a lone electron pair as fourth ligand. A puckered net of pentagons forms the basic building element of the structures of most late transition-metal dipnictides and dichalcogenides. These structures can be characterized by the relative orientation of the nets and by the kind of bonds formed between them. Strong two-electron bonds connect the nets in the pyrite, marcasite, arsenopyrite, pararammelsbergite and PdP2 type structures. In PdS2 the nets are held together mainly by the interaction of the lone pair of S of one layer with the Pd atom of another layer. PdPS forms double nets, thus combining the bonding characteristics of PdP2 and PdS2.

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The crystal structure of PdSe2 and PdS2

Cited by 127 publications

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Interplay of charge density wave and multiband superconductivity in 2H-PdxTaSe2

Interplay of charge density wave and multiband superconductivity in 2H-PdxTaSe2

The Crystal Structures of BaSe₂ and BaSe₃

The structure of PdPS and the crystal chemistry of late transition-metal dipnictides and dichalcogenides

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The crystal structure of PdSe2 and PdS2

Cited by 127 publications

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Interplay of charge density wave and multiband superconductivity in 2H-PdxTaSe2

Interplay of charge density wave and multiband superconductivity in 2H-PdxTaSe2

The Crystal Structures of BaSe2 and BaSe3

The structure of PdPS and the crystal chemistry of late transition-metal dipnictides and dichalcogenides

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The Crystal Structures of BaSe₂ and BaSe₃