Redetermined Crystal Structures of NiTe2, PdTe2, PtS2, PtSe2, and PtTe2.

Furuseth, Sigrid; Selte, Kari; Kjekshus, Arne; Gronowitz, Salo; Hoffman, Ragnar A.; Westerdahl, Anders

doi:10.3891/acta.chem.scand.19-0257

Cited by 112 publications

(40 citation statements)

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“…In Figure 2 (b), the coordination polyhedron for Ni3 is displayed. It is similar to the coordination polyhedron found, for example, for Ni in NiTe 2 (CdI 2 type11). This Ni3–Te partial structure can be treated as a 2D section of a Ni‐deficient NiTe 2 structure.…”

Section: Resultssupporting

confidence: 84%

Fe₃GeTe₂ and Ni₃GeTe₂ – Two New Layered Transition‐Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties

et al. 2006

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Fe3GeTe2 and Ni3GeTe2 are two new air‐stable, black‐metallic solids. They were characterized by single‐crystal X‐ray crystallography, high resolution transmission electron microscopy (HRTEM), and preliminary magnetic measurements. Both compounds crystallize in the hexagonal system [P63/mmc, Z = 2; Fe3GeTe2: a = 399.1(1) pm, c = 1633(3) pm;Ni3GeTe2: a = 391.1(1) pm, c = 1602.0(3) pm], and represent a new structure type with a pronounced macroscopic and microscopic layer character. They show close structural relationships to iron/nickel germanium alloys. Each layer in the title compounds represents a sandwich structure with two layers of tellurium atoms covering a triple‐layer Fe3Ge (Ni3Ge) substructure on both sides. Assuming full occupancies for the Fe and Ni sites, a mixed‐valence formulation for the transition‐metal atoms according to (M2+)(M3+)2(Ge4–)(Te2–)2 (M = Fe, Ni) may be concluded. A slightly reduced occupancy for one Fe/Ni position, however, indicates a more complicated local structural situation. This is confirmed by weak residual electron density in the van der Waals gap and by the results of detailed HRTEM and electron‐diffraction experiments for Ni3GeTe2. The latter results show variations in the arrangement of Ni atoms, as well as vacancies and a misfit of in‐plane disordered hexagonal layers. Fe3GeTe2 shows Curie–Weiss behavior above and ferromagnetism below 230 K, while Ni3GeTe2 exhibits temperature‐independent paramagnetism in the measured temperature range and a metallic behavior of the electrical resistance. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

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Section: Resultssupporting

confidence: 84%

Fe₃GeTe₂ and Ni₃GeTe₂ – Two New Layered Transition‐Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties

et al. 2006

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“…28 It is therefore not surprising that Pt is found to dope in place of Ti rather than intercalate in-between the layers. [28][29][30][31] Structural studies with XRD and NPD indeed confirm that this is the case in all Ti 1-x Pt x Se 2-y samples presented here. As an example, the refined XRD and NPD data for Ti 0.95 Pt 0.05 Se 2 are shown in Fig.…”

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confidence: 58%

Chemical tuning of electrical transport inTi1−xPtxSe2−y

et al. 2015

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The structural and transport properties of polycrystalline Ti1-xPtxSe2-y (x ≤ 0.13, y ≤ 0.2) are studied, revealing highly tunable electrical properties, spanning nearly 10 orders in magnitude in scaled resistivity. Using x-ray and neutron diffraction, Pt is found to dope on the Ti site. In the absence of Pt doping (for x = 0), Se deficiency (y > 0) increases the metallic character of TiSe2, while a remarkable increase of the low temperature resistivity is favored by no Se deficiency (y = 0) and increasing amounts of doped Pt (x > 0). The chemical tuning of the resistivity in Ti1-xPtxSe2-y with Se deficiency and Pt doping results in a metal-to-insulator transition. The simultaneous Pt doping and Se deficiency (x,y > 0) confirms the competition between the two opposing trends in electrical transport, with the main outcome being the suppression of the charge density wave (CDW) transition below 2 K for y = 2x = 0.18. Band structure calculations on a subset of Ti1-xPtxSe2-y compositions are in line with the experimental observations.

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“…Experimental investigations [19][20][21][22][23][24][25][26][27] on Pt-based TMDs have been conducted and were found to exhibit better characteristics than the other well-studied TMDs. Recently, a new technique to synthesize few layers of PtSe 2 by "direct selenization" of Pt metal was developed.…”

Section: Introductionmentioning

confidence: 99%

Thickness dependent electronic properties of Pt dichalcogenides

et al. 2019

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Platinum-based transition metal dichalcogenides have been gaining renewed interest because of the development of a new method to synthesize thin film structures. Here, using first-principles calculation, we explore the electronic properties of PtX 2 (X = S, Se, and Te) with respect to film thickness. For bulk and layered structures (1 to 10 layers), octahedral 1T is the most stable. Surprisingly, we also find that the 3R structure has comparable stability relative to the 1T, implying possible synthesis of 3R. For a bulk 1T structure, PtS 2 is semiconducting with an indirect band gap of 0.25 eV, while PtSe 2 and PtTe 2 are both semi-metallic. Still, all their corresponding monolayers exhibit an indirect semiconducting phase with band gaps of 1.68, 1.18, and 0.40 eV for PtS 2 , PtSe 2 , and PtTe 2 , respectively. For the band properties, we observe that all these materials manifest decreasing/closing of indirect band gap with increasing thickness, a consequence of quantum confinement and interlayer interaction. Moreover, we discover that controlling the thickness and applying strain can manipulate van Hove singularity resulting to high density of states at the maximum valence band. Our results exhibit the sensitivity and tunability of electronic properties of PtX 2 , paving a new path for future potential applications.

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Redetermined Crystal Structures of NiTe2, PdTe2, PtS2, PtSe2, and PtTe2.

Cited by 112 publications

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Fe₃GeTe₂ and Ni₃GeTe₂ – Two New Layered Transition‐Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties

Fe₃GeTe₂ and Ni₃GeTe₂ – Two New Layered Transition‐Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties

Chemical tuning of electrical transport inTi1−xPtxSe2−y

Thickness dependent electronic properties of Pt dichalcogenides

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Redetermined Crystal Structures of NiTe2, PdTe2, PtS2, PtSe2, and PtTe2.

Cited by 112 publications

References 0 publications

Fe3GeTe2 and Ni3GeTe2 – Two New Layered Transition‐Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties

Fe3GeTe2 and Ni3GeTe2 – Two New Layered Transition‐Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties

Chemical tuning of electrical transport inTi1−xPtxSe2−y

Thickness dependent electronic properties of Pt dichalcogenides

Contact Info

Product

Resources

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Fe₃GeTe₂ and Ni₃GeTe₂ – Two New Layered Transition‐Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties

Fe₃GeTe₂ and Ni₃GeTe₂ – Two New Layered Transition‐Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties